NP-MRD: Showing NP-Card for (2s,4s,6s,7r,10r,11r,13s,14r,16r)-13,14-dihydroxy-7,11-dimethyl-6-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-en-17-one (NP0206910)

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Record Information

Version

2.0

Created at

2022-09-05 03:19:32 UTC

Updated at

2022-09-05 03:19:32 UTC

NP-MRD ID

NP0206910

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,4s,6s,7r,10r,11r,13s,14r,16r)-13,14-dihydroxy-7,11-dimethyl-6-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-en-17-one

Description

(2S,4S,6S,7R,10R,11R,13S,14R,16R)-13,14-dihydroxy-7,11-dimethyl-6-[(2R,3S)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]Octadec-1(18)-en-17-one belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Based on a literature review very few articles have been published on (2S,4S,6S,7R,10R,11R,13S,14R,16R)-13,14-dihydroxy-7,11-dimethyl-6-[(2R,3S)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]Octadec-1(18)-en-17-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052205192D          

 34 38  0  0  1  0            999 V2000
   -3.8338   -1.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0165   -1.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1294   -2.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9037   -1.0526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1993   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6929   -1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8757   -1.4442    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5648   -2.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3693   -0.7929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2820   -1.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -0.2865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370   -0.1416    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0923    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5906    1.1139    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3547    1.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2419    0.6076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0540    0.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3343    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1464    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4267    2.4498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6782    1.0432    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4904    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0222    0.5577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8343    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7419   -0.2182    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2737   -0.8489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9298   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979    0.2673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1176   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5858    0.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3055   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4934   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9616   -0.1684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6017   -0.9107    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
  2  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
  9 10  1  1  0  0  0
  9 11  1  1  0  0  0
 12  9  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 16 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 19  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 17  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 12 33  1  0  0  0  0
 16 33  1  0  0  0  0
 33 34  1  1  0  0  0
M  END


  Mrv1652309052205192D          

 34 38  0  0  1  0            999 V2000
   -3.8338   -1.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0165   -1.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1294   -2.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9037   -1.0526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1993   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6929   -1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8757   -1.4442    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5648   -2.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3693   -0.7929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2820   -1.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -0.2865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370   -0.1416    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0923    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5906    1.1139    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3547    1.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2419    0.6076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0540    0.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3343    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1464    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4267    2.4498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6782    1.0432    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4904    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0222    0.5577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8343    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7419   -0.2182    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2737   -0.8489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9298   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979    0.2673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1176   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5858    0.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3055   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4934   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9616   -0.1684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6017   -0.9107    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
  2  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
  9 10  1  1  0  0  0
  9 11  1  1  0  0  0
 12  9  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 16 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 19  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 17  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 12 33  1  0  0  0  0
 16 33  1  0  0  0  0
 33 34  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0206910

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)(O)CC[C@H](O)[C@](C)(O)[C@H]1C[C@@H]2O[C@@]22C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C27H42O7/c1-23(2,32)8-7-21(31)26(5,33)20-12-22-27(34-22)15-10-17(28)16-11-18(29)19(30)13-24(16,3)14(15)6-9-25(20,27)4/h10,14,16,18-22,29-33H,6-9,11-13H2,1-5H3/t14-,16-,18+,19-,20-,21-,22-,24+,25+,26+,27-/m0/s1

> <INCHI_KEY>
QHRCKMINXNGCBU-JFCXAEPUSA-N

> <FORMULA>
C27H42O7

> <MOLECULAR_WEIGHT>
478.626

> <EXACT_MASS>
478.293053692

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
53.50232286037041

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,4S,6S,7R,10R,11R,13S,14R,16R)-13,14-dihydroxy-7,11-dimethyl-6-[(2R,3S)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadec-1(18)-en-17-one

> <JCHEM_LOGP>
0.6966621699999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.012280975222549

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.411946685302034

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6274237342910425

> <JCHEM_POLAR_SURFACE_AREA>
130.75

> <JCHEM_REFRACTIVITY>
126.72719999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S,4S,6S,7R,10R,11R,13S,14R,16R)-13,14-dihydroxy-7,11-dimethyl-6-[(2R,3S)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadec-1(18)-en-17-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      -7.156  -3.280   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.631  -3.490   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.842  -5.016   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -5.420  -1.965   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -4.105  -3.701   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.160  -2.485   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.635  -2.696   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.054  -4.122   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.689  -1.480   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.526  -2.425   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.905  -0.535   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.256  -0.264   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.172   1.215   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.102   2.079   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.529   2.660   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.318   1.134   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.834   1.405   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.357   2.854   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.873   3.125   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.397   4.573   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       6.866   1.947   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.382   2.218   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.375   1.041   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      10.891   1.312   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       8.852  -0.407   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       9.844  -1.585   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       7.336  -0.678   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.343   0.499   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.820  -0.949   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.827   0.228   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.304  -1.221   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.788  -1.492   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.795  -0.314   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.123  -1.700   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4    5                                             
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    2    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11   12                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9   13   33                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14   16                                                       
CONECT   16   15   14   17   33                                             
CONECT   17   16   18   30                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   28                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   21   29   30                                             
CONECT   29   28                                                            
CONECT   30   28   17   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   12   16   34                                             
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₄₂O₇

Average Mass

478.6260 Da

Monoisotopic Mass

478.29305 Da

IUPAC Name

(2S,4S,6S,7R,10R,11R,13S,14R,16R)-13,14-dihydroxy-7,11-dimethyl-6-[(2R,3S)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadec-1(18)-en-17-one

Traditional Name

(2S,4S,6S,7R,10R,11R,13S,14R,16R)-13,14-dihydroxy-7,11-dimethyl-6-[(2R,3S)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadec-1(18)-en-17-one

CAS Registry Number

Not Available

SMILES

CC(C)(O)CC[C@H](O)[C@](C)(O)[C@H]1C[C@@H]2O[C@@]22C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

InChI Identifier

InChI=1S/C27H42O7/c1-23(2,32)8-7-21(31)26(5,33)20-12-22-27(34-22)15-10-17(28)16-11-18(29)19(30)13-24(16,3)14(15)6-9-25(20,27)4/h10,14,16,18-22,29-33H,6-9,11-13H2,1-5H3/t14-,16-,18+,19-,20-,21-,22-,24+,25+,26+,27-/m0/s1

InChI Key

QHRCKMINXNGCBU-JFCXAEPUSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Cholestane steroids

Direct Parent

Cholesterols and derivatives

Alternative Parents

Substituents

Cholesterol
Ecdysteroid
3-hydroxy-delta-7-steroid
Delta-7-steroid
Naphthopyran
Naphthalene
Cyclohexenone
Pyran
Oxane
Cyclic alcohol
Tertiary alcohol
Ketone
Secondary alcohol
Oxacycle
Dialkyl ether
Oxirane
Ether
Organoheterocyclic compound
Polyol
Organic oxygen compound
Alcohol
Carbonyl group
Organic oxide
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	0.7	ChemAxon
pKa (Strongest Acidic)	13.41	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	130.75 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	126.73 m³·mol⁻¹	ChemAxon
Polarizability	53.5 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	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

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

163193503

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,4s,6s,7r,10r,11r,13s,14r,16r)-13,14-dihydroxy-7,11-dimethyl-6-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-en-17-one (NP0206910)

MOL for NP0206910 ((2s,4s,6s,7r,10r,11r,13s,14r,16r)-13,14-dihydroxy-7,11-dimethyl-6-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-en-17-one)

3D MOL for NP0206910 ((2s,4s,6s,7r,10r,11r,13s,14r,16r)-13,14-dihydroxy-7,11-dimethyl-6-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-en-17-one)

3D SDF for NP0206910 ((2s,4s,6s,7r,10r,11r,13s,14r,16r)-13,14-dihydroxy-7,11-dimethyl-6-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-en-17-one)

3D-SDF for NP0206910 ((2s,4s,6s,7r,10r,11r,13s,14r,16r)-13,14-dihydroxy-7,11-dimethyl-6-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-en-17-one)

PDB for NP0206910 ((2s,4s,6s,7r,10r,11r,13s,14r,16r)-13,14-dihydroxy-7,11-dimethyl-6-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-en-17-one)

3D PDB for NP0206910 ((2s,4s,6s,7r,10r,11r,13s,14r,16r)-13,14-dihydroxy-7,11-dimethyl-6-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-en-17-one)

SMILES for NP0206910 ((2s,4s,6s,7r,10r,11r,13s,14r,16r)-13,14-dihydroxy-7,11-dimethyl-6-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-en-17-one)

INCHI for NP0206910 ((2s,4s,6s,7r,10r,11r,13s,14r,16r)-13,14-dihydroxy-7,11-dimethyl-6-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-en-17-one)

Structure for NP0206910 ((2s,4s,6s,7r,10r,11r,13s,14r,16r)-13,14-dihydroxy-7,11-dimethyl-6-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-en-17-one)

3D Structure for NP0206910 ((2s,4s,6s,7r,10r,11r,13s,14r,16r)-13,14-dihydroxy-7,11-dimethyl-6-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-en-17-one)