NP-MRD: Showing NP-Card for (1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate (NP0144882)

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Record Information

Version

2.0

Created at

2022-09-01 23:57:39 UTC

Updated at

2022-09-01 23:57:39 UTC

NP-MRD ID

NP0144882

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate

Description

(1S,4S,5S,6R,13S,14R,16R,18R)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]Nonadeca-2,11-dien-4-yl hexadecanoate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. (1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate is found in Euphorbia ebracteolata. Based on a literature review very few articles have been published on (1S,4S,5S,6R,13S,14R,16R,18R)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]Nonadeca-2,11-dien-4-yl hexadecanoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022201572D          

 45 49  0  0  1  0            999 V2000
   11.4396   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1541   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8686   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5831   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2975   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0120   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7265   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4409   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1554   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8699   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5844   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2988   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0133   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7278   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4422   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1567   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1567   -1.0234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8712   -2.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5857   -1.8484    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.6666   -1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0553   -0.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4781   -0.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9681   -1.5704    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.5676   -2.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0801   -1.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1856   -2.5357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.8408   -3.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0373   -3.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9480   -4.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1931   -4.7093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5275   -4.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1631   -4.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7353   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6167   -3.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3716   -3.0690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.3491   -2.1944    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.6615   -2.6503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8595   -2.0222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.9078   -1.1986    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.2790   -0.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4533   -0.8278    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.9752   -0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5969   -1.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2992   -1.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2439   -2.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  2  0  0  0  0
 26 24  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 35 34  1  1  0  0  0
 28 35  1  0  0  0  0
 35 36  1  0  0  0  0
 19 36  1  0  0  0  0
 23 36  1  0  0  0  0
 36 37  1  1  0  0  0
 26 38  1  0  0  0  0
 38 39  1  1  0  0  0
 39 40  1  1  0  0  0
 40 41  1  0  0  0  0
 23 41  1  0  0  0  0
 41 42  1  6  0  0  0
 39 43  1  0  0  0  0
 38 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
M  END

     RDKit          3D

107111  0  0  0  0  0  0  0  0999 V2000
    9.2007    2.5027    3.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3771    1.1421    2.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6670    1.3572    1.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8633    0.0867    0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6748   -0.8157    0.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4579   -0.1328   -0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2580   -1.0346   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0099   -0.4525   -0.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1984   -0.0941   -2.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9727    0.4850   -2.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7697   -0.4722   -2.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0909   -1.7452   -3.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0953   -2.8233   -3.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7949   -2.7120   -3.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.6886   -3.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5770   -1.7213   -2.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0861   -2.5689   -1.3675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082   -0.8168   -1.6051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9202   -0.7869   -0.3005 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8230    0.4841    0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5318    0.9058    1.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9880    1.1356    0.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9304    0.3424   -0.3555 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3635    0.3015    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1327   -0.3489   -0.4702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7220    1.0733    1.3640 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6998    0.5357    2.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0528   -0.6165    2.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7066   -1.0773    3.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7238   -2.4917    3.5432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6950   -2.9063    2.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0845   -2.4383    3.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7210   -4.4398    2.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4902   -2.6298    1.3335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6397   -1.5169    1.2296 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4565   -1.0192   -0.1460 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8751   -1.9728   -1.0485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4448    2.5005    1.0220 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0091    2.8686   -0.2771 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1180    2.0817   -1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0970    0.9600   -1.6875 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8807    1.6228   -2.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3840    3.3443    0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6168    2.7815   -0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4818    4.8412    0.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798    2.4221    4.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7817    3.2388    2.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1824    2.8894    3.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2738    0.6217    3.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.5123    2.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6422    1.9223    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875    2.0138    0.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1052    0.3369   -0.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7313   -0.4413    0.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4616   -1.2255    1.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8966   -1.6864   -0.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792    0.1282   -1.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2916    0.7895    0.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0236   -1.3237    1.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4752   -2.0111   -0.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2092   -1.2111   -0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7521    0.4605    0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5675   -0.9555   -2.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0255    0.6778   -2.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1612    0.7419   -3.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    1.4068   -2.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5696   -0.7140   -1.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9579    0.0750   -3.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207   -2.1623   -2.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4977   -1.5206   -4.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9466   -3.1356   -2.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527   -3.7595   -3.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2560   -3.7203   -3.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8770   -2.7304   -5.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1627   -1.8324   -4.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1023   -0.6782   -3.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883   -1.5704    0.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3216    0.8186    0.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6283    1.9870    1.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4129    0.3477    2.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0320    2.0989    0.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7401    0.8996    1.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5271    1.1990    3.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6481   -0.8107    3.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4034   -0.7459    4.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5052   -1.7493    2.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8111   -3.2751    3.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0945   -1.9516    4.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7074   -4.8270    2.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3982   -4.8084    1.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0684   -4.7251    3.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6364   -1.9862    1.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2256   -2.7464   -1.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9854    3.0371    1.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2592    3.7178   -0.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9922    2.7675   -2.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1179    1.6154   -1.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5082    0.2670   -2.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2127    2.6326   -2.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5256    1.1149   -3.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0915    1.8620   -1.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8514    1.7424   -0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4820    3.3777    0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6342    2.9499   -1.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7321    5.3925   -0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1966    5.0220    1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4715    5.1866    0.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 23 22  1  1
 23 41  1  0
 41 42  1  0
 41 40  1  0
 40 39  1  0
 39 38  1  0
 38 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  6
 26 24  1  0
 24 25  2  0
 38 43  1  0
 43 44  1  0
 43 45  1  0
 36 19  1  0
 36 23  1  0
 24 23  1  0
 43 39  1  0
 35 28  1  0
  1 46  1  0
  1 47  1  0
  1 48  1  0
  2 49  1  0
  2 50  1  0
  3 51  1  0
  3 52  1  0
  4 53  1  0
  4 54  1  0
  5 55  1  0
  5 56  1  0
  6 57  1  0
  6 58  1  0
  7 59  1  0
  7 60  1  0
  8 61  1  0
  8 62  1  0
  9 63  1  0
  9 64  1  0
 10 65  1  0
 10 66  1  0
 11 67  1  0
 11 68  1  0
 12 69  1  0
 12 70  1  0
 13 71  1  0
 13 72  1  0
 14 73  1  0
 14 74  1  0
 15 75  1  0
 15 76  1  0
 19 77  1  1
 21 78  1  0
 21 79  1  0
 21 80  1  0
 22 81  1  0
 41 98  1  6
 42 99  1  0
 42100  1  0
 42101  1  0
 40 96  1  0
 40 97  1  0
 39 95  1  1
 38 94  1  1
 26 82  1  1
 27 83  1  0
 29 84  1  0
 29 85  1  0
 32 86  1  0
 32 87  1  0
 32 88  1  0
 33 89  1  0
 33 90  1  0
 33 91  1  0
 35 92  1  1
 37 93  1  0
 44102  1  0
 44103  1  0
 44104  1  0
 45105  1  0
 45106  1  0
 45107  1  0
M  END


  Mrv1652309022201572D          

 45 49  0  0  1  0            999 V2000
   11.4396   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1541   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8686   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5831   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2975   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0120   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7265   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4409   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1554   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8699   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5844   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2988   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0133   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7278   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4422   -2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1567   -1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1567   -1.0234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8712   -2.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5857   -1.8484    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.6666   -1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0553   -0.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4781   -0.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9681   -1.5704    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.5676   -2.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0801   -1.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1856   -2.5357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.8408   -3.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0373   -3.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9480   -4.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1931   -4.7093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5275   -4.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1631   -4.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7353   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6167   -3.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3716   -3.0690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.3491   -2.1944    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.6615   -2.6503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8595   -2.0222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.9078   -1.1986    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.2790   -0.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4533   -0.8278    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.9752   -0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5969   -1.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2992   -1.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2439   -2.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  2  0  0  0  0
 26 24  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 35 34  1  1  0  0  0
 28 35  1  0  0  0  0
 35 36  1  0  0  0  0
 19 36  1  0  0  0  0
 23 36  1  0  0  0  0
 36 37  1  1  0  0  0
 26 38  1  0  0  0  0
 38 39  1  1  0  0  0
 39 40  1  1  0  0  0
 40 41  1  0  0  0  0
 23 41  1  0  0  0  0
 41 42  1  6  0  0  0
 39 43  1  0  0  0  0
 38 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0144882

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCC(=O)O[C@H]1C(C)=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C5COC(C)(C)O[C@H]5[C@]12O)C3=O)C4(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C39H62O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(40)44-34-26(2)24-38-27(3)22-30-32(36(30,4)5)29(33(38)41)23-28-25-43-37(6,7)45-35(28)39(34,38)42/h23-24,27,29-30,32,34-35,42H,8-22,25H2,1-7H3/t27-,29+,30-,32+,34+,35-,38+,39-/m1/s1

> <INCHI_KEY>
FGFHNMBIMRVWIW-FQBABPJXSA-N

> <FORMULA>
C39H62O6

> <MOLECULAR_WEIGHT>
626.919

> <EXACT_MASS>
626.454639716

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
107

> <JCHEM_AVERAGE_POLARIZABILITY>
77.10347038829121

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4S,5S,6R,13S,14R,16R,18R)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0^{1,5}.0^{6,11}.0^{14,16}]nonadeca-2,11-dien-4-yl hexadecanoate

> <ALOGPS_LOGP>
8.02

> <JCHEM_LOGP>
8.916146544333333

> <ALOGPS_LOGS>
-6.97

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.144752143264661

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.15233524519602

> <JCHEM_PKA_STRONGEST_BASIC>
-4.04388466660721

> <JCHEM_POLAR_SURFACE_AREA>
82.06000000000002

> <JCHEM_REFRACTIVITY>
179.82530000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.66e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4S,5S,6R,13S,14R,16R,18R)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0^{1,5}.0^{6,11}.0^{14,16}]nonadeca-2,11-dien-4-yl hexadecanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      21.354  -4.220   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      22.688  -3.450   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      24.021  -4.220   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      25.355  -3.450   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      26.689  -4.220   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      28.022  -3.450   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      29.356  -4.220   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      30.690  -3.450   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      32.023  -4.220   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      33.357  -3.450   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      34.691  -4.220   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      36.024  -3.450   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      37.358  -4.220   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      38.692  -3.450   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      40.026  -4.220   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      41.359  -3.450   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      41.359  -1.910   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      42.693  -4.220   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      44.027  -3.450   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      44.178  -1.914   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      43.037  -0.880   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      45.692  -1.613   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      46.607  -2.931   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      47.726  -3.816   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      48.683  -2.609   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      48.880  -4.733   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      48.236  -6.173   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      46.736  -6.639   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      46.570  -8.170   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      45.160  -8.791   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      43.918  -7.881   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      43.238  -9.263   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      42.439  -7.451   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      44.085  -6.350   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      45.494  -5.729   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      45.452  -4.096   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      44.168  -4.947   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      50.138  -3.775   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      50.228  -2.237   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      49.054  -1.161   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      47.513  -1.545   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      46.620  -0.290   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      51.514  -3.084   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      52.825  -2.276   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      52.722  -4.040   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   36                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   36   41                                             
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   38                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   35                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33   34                                             
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   31   35                                                       
CONECT   35   34   28   36                                                  
CONECT   36   35   19   23   37                                             
CONECT   37   36                                                            
CONECT   38   26   39   43                                                  
CONECT   39   38   40   43                                                  
CONECT   40   39   41                                                       
CONECT   41   40   23   42                                                  
CONECT   42   41                                                            
CONECT   43   39   38   44   45                                             
CONECT   44   43                                                            
CONECT   45   43                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   98    0
END

View in JSmol

Synonyms

Value	Source
(1S,4S,5S,6R,13S,14R,16R,18R)-5-Hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0,.0,.0,]nonadeca-2,11-dien-4-yl hexadecanoic acid	Generator

Chemical Formula

C₃₉H₆₂O₆

Average Mass

626.9190 Da

Monoisotopic Mass

626.45464 Da

IUPAC Name

(1S,4S,5S,6R,13S,14R,16R,18R)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0^{1,5}.0^{6,11}.0^{14,16}]nonadeca-2,11-dien-4-yl hexadecanoate

Traditional Name

(1S,4S,5S,6R,13S,14R,16R,18R)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0^{1,5}.0^{6,11}.0^{14,16}]nonadeca-2,11-dien-4-yl hexadecanoate

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H]1C(C)=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C5COC(C)(C)O[C@H]5[C@]12O)C3=O)C4(C)C

InChI Identifier

InChI=1S/C39H62O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(40)44-34-26(2)24-38-27(3)22-30-32(36(30,4)5)29(33(38)41)23-28-25-43-37(6,7)45-35(28)39(34,38)42/h23-24,27,29-30,32,34-35,42H,8-22,25H2,1-7H3/t27-,29+,30-,32+,34+,35-,38+,39-/m1/s1

InChI Key

FGFHNMBIMRVWIW-FQBABPJXSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Euphorbia ebracteolata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acid esters

Direct Parent

Fatty acid esters

Alternative Parents

Substituents

Ketal
Fatty acid ester
Meta-dioxane
Tertiary alcohol
Carboxylic acid ester
Ketone
Acetal
Carboxylic acid derivative
Oxacycle
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Alcohol
Organooxygen compound
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	8.02	ALOGPS
logP	8.92	ChemAxon
logS	-7	ALOGPS
pKa (Strongest Acidic)	12.15	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	82.06 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	179.83 m³·mol⁻¹	ChemAxon
Polarizability	77.1 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162968714

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate (NP0144882)

MOL for NP0144882 ((1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate)

3D MOL for NP0144882 ((1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate)

3D SDF for NP0144882 ((1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate)

3D-SDF for NP0144882 ((1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate)

PDB for NP0144882 ((1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate)

3D PDB for NP0144882 ((1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate)

SMILES for NP0144882 ((1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate)

INCHI for NP0144882 ((1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate)

Structure for NP0144882 ((1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate)

3D Structure for NP0144882 ((1s,4s,5s,6r,13s,14r,16r,18r)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0¹,⁵.0⁶,¹¹.0¹⁴,¹⁶]nonadeca-2,11-dien-4-yl hexadecanoate)