NP-MRD: Showing NP-Card for (2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane] (NP0153220)

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Record Information

Version

2.0

Created at

2022-09-02 09:50:33 UTC

Updated at

2022-09-02 09:50:33 UTC

NP-MRD ID

NP0153220

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane]

Description

(2R,5S,9'R)-5',5',9'-trimethyl-5-[(9R,14R)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]Hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]Hexadecane] belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. (2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane] is found in Fritillaria anhuiensis. Based on a literature review very few articles have been published on (2R,5S,9'R)-5',5',9'-trimethyl-5-[(9R,14R)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]Hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]Hexadecane].

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022211502D          

 42 50  0  0  1  0            999 V2000
   -3.1563   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3542   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034   -0.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6836   -2.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1932   -2.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735   -2.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -2.0330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5594   -2.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5344   -1.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2148   -0.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3951   -0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7713   -1.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4675   -1.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1515   -2.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3001   -2.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2058   -1.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5767   -0.8865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3004   -0.4903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4052    0.3280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158    0.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120   -0.2424    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2112    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352    0.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3102    0.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1126    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6901    0.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4883    0.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1443    1.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1671    1.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0680    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8495   -0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0513   -0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4716   -0.3618    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2624   -1.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6587   -0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4459   -1.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6071   -1.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0224   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806   -0.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463   -0.8428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7908   -0.5146    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
  2  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  1  0  0  0
  7  9  1  0  0  0  0
  2  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  1  0  0  0  0
 12 17  1  0  0  0  0
  7 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 27 34  1  0  0  0  0
 34 35  1  6  0  0  0
 34 36  1  0  0  0  0
 24 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 22 39  1  0  0  0  0
 39 40  1  0  0  0  0
 24 40  1  0  0  0  0
 22 41  1  6  0  0  0
 19 41  1  0  0  0  0
 18 42  1  0  0  0  0
 12 42  1  0  0  0  0
M  END

     RDKit          3D

106114  0  0  0  0  0  0  0  0999 V2000
    8.5837   -0.2524   -1.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9118   -0.8276   -0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6138   -2.1429   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1059    0.1583    0.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4962   -0.3751    2.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3437   -1.2744    1.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5694   -1.1545    0.5655 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8933   -2.5425    0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4506   -1.0317   -0.6314 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0436    0.1024   -1.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5713   -0.1274   -1.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    0.3037   -0.5770 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8165    1.8378   -0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7794    2.1251    0.3983 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3738    1.7480    1.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7217    1.0163    1.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4570   -0.1823    0.6919 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6637    1.2570   -0.0957 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5968    0.9422    0.8863 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0241    2.1335    1.3148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2546    1.7412    1.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6174    0.8686    0.4766 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6868   -0.1207    0.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6699   -0.0804   -0.4279 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0635   -1.4748   -0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5087   -1.7578   -0.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2799   -0.9205    0.1321 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6433   -1.3888    0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8958   -2.6266   -0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7404   -1.9207    1.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7586   -0.4477    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4748    0.9892    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0401    1.3622    0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1346    0.4904   -0.3678 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.4661    0.6465   -1.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7086    0.9051   -0.1107 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4367    2.1916   -0.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0108    2.6549   -0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0179    1.5624   -0.7643 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7112    0.4175   -1.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915    0.2210    0.2200 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497    0.0228   -0.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6716   -0.2245   -1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4588   -0.9110   -2.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2671    0.7918   -1.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0463   -2.0690    0.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4824   -2.3191   -0.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9387   -3.0065   -0.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2191    0.2995    0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7122    1.1335    0.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3157    0.5223    2.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3355   -0.9021    2.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7289   -2.3363    1.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5985   -1.2036    2.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5328   -3.2260   -0.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217   -2.4410   -0.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7041   -2.9931    1.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4340   -1.9407   -1.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2704    1.0380   -1.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5680   -0.0317   -2.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483    0.5224   -2.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4053   -1.1634   -2.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7731    2.3077   -0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4360    2.0651   -1.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    3.2074    0.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472    2.7000    2.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529    1.1767    2.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9392    0.7157    2.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5264    1.6664    1.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195   -0.7102    1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2388    1.7834   -0.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9962    0.4146    1.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9511    2.5256    1.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1817    1.0672    2.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2321   -1.1282    0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2226    0.0601    1.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5409   -1.8449   -1.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6948   -2.2030    0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7018   -2.8311   -0.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8345   -1.5392   -1.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6457   -0.9857    1.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0156   -2.7701   -0.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6097   -2.4630   -1.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4846   -3.5363   -0.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7534   -2.2665    2.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5393   -2.6761    1.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0508   -1.0529    2.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2187   -0.6357   -0.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6012   -0.7225    0.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9212    1.5769   -0.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9960    1.4137    1.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7331    1.2468    1.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9568    2.4497    0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6993    1.7334   -2.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3336    0.0841   -2.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6263    0.4047   -2.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6827    1.2224    0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6734    2.1162   -1.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1048    2.9869   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9998    3.2212    0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8018    3.4003   -1.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1639    1.8540   -1.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2283    0.7558   -2.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0202   -0.3994   -1.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203   -0.1609   -1.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628   -0.8191   -0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7 17  1  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 42  1  6
 42 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 24 23  1  1
 24 40  1  0
 40 39  1  0
 39 38  1  0
 38 37  1  0
 37 36  1  0
 36 34  1  0
 34 35  1  6
 34 33  1  0
 33 32  1  0
 32 31  1  0
 31 28  1  0
 28 29  1  0
 28 30  1  0
 28 27  1  0
 27 26  1  0
 26 25  1  0
 22 41  1  6
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  2  1  0
  9  7  1  0
 12 17  1  0
 41 19  1  0
 18 14  1  0
 39 22  1  0
 27 34  1  0
 36 24  1  0
 25 24  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  3 46  1  0
  3 47  1  0
  3 48  1  0
  4 49  1  0
  4 50  1  0
  5 51  1  0
  5 52  1  0
  6 53  1  0
  6 54  1  0
  8 55  1  0
  8 56  1  0
  8 57  1  0
 17 70  1  1
 16 68  1  0
 16 69  1  0
 15 66  1  0
 15 67  1  0
 14 65  1  1
 13 63  1  0
 13 64  1  0
 42105  1  0
 42106  1  0
 18 71  1  6
 19 72  1  1
 21 73  1  0
 21 74  1  0
 23 75  1  0
 23 76  1  0
 40103  1  0
 40104  1  0
 39102  1  6
 38100  1  0
 38101  1  0
 37 98  1  0
 37 99  1  0
 36 97  1  1
 35 94  1  0
 35 95  1  0
 35 96  1  0
 33 92  1  0
 33 93  1  0
 32 90  1  0
 32 91  1  0
 31 88  1  0
 31 89  1  0
 29 82  1  0
 29 83  1  0
 29 84  1  0
 30 85  1  0
 30 86  1  0
 30 87  1  0
 27 81  1  1
 26 79  1  0
 26 80  1  0
 25 77  1  0
 25 78  1  0
 11 61  1  0
 11 62  1  0
 10 59  1  0
 10 60  1  0
  9 58  1  6
M  END


  Mrv1652309022211502D          

 42 50  0  0  1  0            999 V2000
   -3.1563   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3542   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034   -0.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6836   -2.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1932   -2.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735   -2.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -2.0330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5594   -2.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5344   -1.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2148   -0.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3951   -0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7713   -1.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4675   -1.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1515   -2.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3001   -2.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2058   -1.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5767   -0.8865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3004   -0.4903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4052    0.3280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158    0.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120   -0.2424    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2112    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352    0.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3102    0.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1126    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6901    0.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4883    0.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1443    1.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1671    1.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0680    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8495   -0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0513   -0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4716   -0.3618    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2624   -1.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6587   -0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4459   -1.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6071   -1.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0224   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806   -0.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463   -0.8428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7908   -0.5146    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
  2  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  1  0  0  0
  7  9  1  0  0  0  0
  2  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  1  0  0  0  0
 12 17  1  0  0  0  0
  7 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 27 34  1  0  0  0  0
 34 35  1  6  0  0  0
 34 36  1  0  0  0  0
 24 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 22 39  1  0  0  0  0
 39 40  1  0  0  0  0
 24 40  1  0  0  0  0
 22 41  1  6  0  0  0
 19 41  1  0  0  0  0
 18 42  1  0  0  0  0
 12 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0153220

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)CCC[C@@]2(C)C3CCC4CC3(C[C@H]4[C@H]3OC[C@]4(CC56CC4CCC5[C@]4(C)CCCC(C)(C)C4CC6)O3)CCC12

> <INCHI_IDENTIFIER>
InChI=1S/C40H64O2/c1-34(2)15-7-17-36(5)29(34)13-19-38-21-26(9-11-31(36)38)28(23-38)33-41-25-40(42-33)24-39-20-14-30-35(3,4)16-8-18-37(30,6)32(39)12-10-27(40)22-39/h26-33H,7-25H2,1-6H3/t26?,27?,28-,29?,30?,31?,32?,33+,36-,37-,38?,39?,40+/m1/s1

> <INCHI_KEY>
UHEVLQYOSGCRMM-JQVUJYARSA-N

> <FORMULA>
C40H64O2

> <MOLECULAR_WEIGHT>
576.95

> <EXACT_MASS>
576.490631301

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
106

> <JCHEM_AVERAGE_POLARIZABILITY>
72.36617390417953

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,5S,9'R)-5',5',9'-trimethyl-5-[(9R,14R)-5,5,9-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane]

> <ALOGPS_LOGP>
6.21

> <JCHEM_LOGP>
10.051558344333335

> <ALOGPS_LOGS>
-7.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.0586329375478805

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
170.8802

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.61e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,5S,9'R)-5',5',9'-trimethyl-5-[(9R,14R)-5,5,9-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane]

> <JCHEM_VEBER_RULE>
1

$$$$

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      -5.892  -2.370   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.394  -2.730   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.300  -1.193   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.009  -4.142   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.094  -5.380   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.564  -5.207   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.949  -3.795   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.044  -5.041   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.864  -2.557   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.268  -1.118   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.737  -0.923   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.278  -2.127   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.440  -2.780   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.739  -3.253   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.149  -4.756   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.560  -4.988   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.384  -3.644   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.943  -1.655   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.294  -0.915   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.490   0.612   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       6.003   0.898   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.742  -0.452   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.861   0.724   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.399   0.067   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.912   1.556   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.410   1.925   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.488   0.810   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.978   1.199   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.336   2.599   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.245   2.074   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      15.060   0.103   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      14.652  -1.382   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.162  -1.771   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      12.080  -0.675   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      11.690  -2.165   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.563  -1.110   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      10.166  -2.703   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       8.600  -3.060   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       7.509  -1.870   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.550  -0.960   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       5.686  -1.573   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       1.476  -0.961   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4    9                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   17                                             
CONECT    8    7                                                            
CONECT    9    7    2   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   17   42                                             
CONECT   13   12   14                                                       
CONECT   14   13   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   12    7                                                  
CONECT   18   14   19   42                                                  
CONECT   19   18   20   41                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   39   41                                             
CONECT   23   22   24                                                       
CONECT   24   23   25   36   40                                             
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   34                                                  
CONECT   28   27   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   27   35   36                                             
CONECT   35   34                                                            
CONECT   36   34   24   37                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   22   40                                                  
CONECT   40   39   24                                                       
CONECT   41   22   19                                                       
CONECT   42   18   12                                                       
MASTER        0    0    0    0    0    0    0    0   42    0  100    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₆₄O₂

Average Mass

576.9500 Da

Monoisotopic Mass

576.49063 Da

IUPAC Name

(2R,5S,9'R)-5',5',9'-trimethyl-5-[(9R,14R)-5,5,9-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane]

Traditional Name

(2R,5S,9'R)-5',5',9'-trimethyl-5-[(9R,14R)-5,5,9-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane]

CAS Registry Number

Not Available

SMILES

CC1(C)CCC[C@@]2(C)C3CCC4CC3(C[C@H]4[C@H]3OC[C@]4(CC56CC4CCC5[C@]4(C)CCCC(C)(C)C4CC6)O3)CCC12

InChI Identifier

InChI=1S/C40H64O2/c1-34(2)15-7-17-36(5)29(34)13-19-38-21-26(9-11-31(36)38)28(23-38)33-41-25-40(42-33)24-39-20-14-30-35(3,4)16-8-18-37(30,6)32(39)12-10-27(40)22-39/h26-33H,7-25H2,1-6H3/t26?,27?,28-,29?,30?,31?,32?,33+,36-,37-,38?,39?,40+/m1/s1

InChI Key

UHEVLQYOSGCRMM-JQVUJYARSA-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
Fritillaria anhuiensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Kaurane diterpenoids

Alternative Parents

Substituents

Kaurane diterpenoid
Meta-dioxolane
Oxacycle
Organoheterocyclic compound
Acetal
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
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	6.21	ALOGPS
logP	10.05	ChemAxon
logS	-7.8	ALOGPS
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	18.46 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	170.88 m³·mol⁻¹	ChemAxon
Polarizability	72.37 Å³	ChemAxon
Number of Rings	9	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	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

4476275

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5317405

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane] (NP0153220)

MOL for NP0153220 ((2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane])

3D MOL for NP0153220 ((2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane])

3D SDF for NP0153220 ((2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane])

3D-SDF for NP0153220 ((2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane])

PDB for NP0153220 ((2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane])

3D PDB for NP0153220 ((2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane])

SMILES for NP0153220 ((2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane])

INCHI for NP0153220 ((2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane])

Structure for NP0153220 ((2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane])

3D Structure for NP0153220 ((2r,5s,9'r)-5',5',9'-trimethyl-5-[(9r,14r)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]spiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane])