NP-MRD: Showing NP-Card for (3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate (NP0169763)

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Record Information

Version

2.0

Created at

2022-09-03 05:46:42 UTC

Updated at

2022-09-03 05:46:43 UTC

NP-MRD ID

NP0169763

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate

Description

Karounidiol 3-benzoate belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate is found in Momordica charantia. Based on a literature review very few articles have been published on Karounidiol 3-benzoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032207462D          

 40 45  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309032207462D          

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   -2.5855   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230   -5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9520   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4270   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2520   -3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -3.8230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9337   -3.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8522   -3.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9955   -2.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -5.2520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6645   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -5.2520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1895   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -5.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -5.2520    0.0000 C   0  0  1  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  6  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  6  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 21 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 18 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 40 39  1  1  0  0  0
  2 40  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0169763

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1)OC(=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C37H52O3/c1-32(2)28-14-13-27-26(35(28,5)17-16-30(32)40-31(39)25-11-9-8-10-12-25)15-18-37(7)29-23-33(3,24-38)19-20-34(29,4)21-22-36(27,37)6/h8-13,15,28-30,38H,14,16-24H2,1-7H3/t28-,29+,30+,33+,34+,35+,36+,37-/m0/s1

> <INCHI_KEY>
QTSNHJFHQLIOGA-YBTZDMJXSA-N

> <FORMULA>
C37H52O3

> <MOLECULAR_WEIGHT>
544.82

> <EXACT_MASS>
544.391645534

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
92

> <JCHEM_AVERAGE_POLARIZABILITY>
66.16261492054552

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4aR,6bS,8aS,11R,12aR,12bS,14bS)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicen-3-yl benzoate

> <ALOGPS_LOGP>
8.73

> <JCHEM_LOGP>
8.212090045

> <ALOGPS_LOGS>
-6.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.219760205383754

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3904755403061522

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
164.354

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.41e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3R,4aR,6bS,8aS,11R,12aR,12bS,14bS)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.883 -10.330   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.564  -9.804   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.831 -11.320   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.206  -8.470   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -1.746  -8.470   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -2.516  -9.804   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.746 -11.137   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -4.056  -9.804   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.826 -11.137   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.366 -11.137   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -7.136  -9.804   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.366  -8.470   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.826  -8.470   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.564  -7.136   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.104  -7.136   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.874  -8.470   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.644  -7.136   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.414  -8.470   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.184  -7.136   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.724  -7.136   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.494  -8.470   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.264  -7.136   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.034  -8.470   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.804  -7.136   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.344  -7.136   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.076  -5.620   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.791  -6.610   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      13.058  -5.093   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      12.114  -8.470   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.344  -9.804   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.804  -9.804   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.574 -11.137   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.034 -11.137   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.494 -11.137   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.724  -9.804   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.954 -11.137   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.184  -9.804   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.414 -11.137   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.874 -11.137   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       2.104  -9.804   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4   40                                             
CONECT    3    2                                                            
CONECT    4    2    5   14                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    8                                                       
CONECT   14    4   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18   40                                             
CONECT   17   16                                                            
CONECT   18   16   19   37                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23   35                                             
CONECT   22   21                                                            
CONECT   23   21   24   31                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27   29                                             
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27                                                            
CONECT   29   25   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   23   32   33                                             
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   21   36   37                                             
CONECT   36   35                                                            
CONECT   37   35   18   38                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39    2   16                                                  
MASTER        0    0    0    0    0    0    0    0   40    0   90    0
END

View in JSmol

Synonyms

Value	Source
Karounidiol 3-benzoic acid	Generator

Chemical Formula

C₃₇H₅₂O₃

Average Mass

544.8200 Da

Monoisotopic Mass

544.39165 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1)OC(=O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C37H52O3/c1-32(2)28-14-13-27-26(35(28,5)17-16-30(32)40-31(39)25-11-9-8-10-12-25)15-18-37(7)29-23-33(3,24-38)19-20-34(29,4)21-22-36(27,37)6/h8-13,15,28-30,38H,14,16-24H2,1-7H3/t28-,29+,30+,33+,34+,35+,36+,37-/m0/s1

InChI Key

QTSNHJFHQLIOGA-YBTZDMJXSA-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
Momordica charantia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Benzoate ester
Benzoic acid or derivatives
Benzoyl
Monocyclic benzene moiety
Benzenoid
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Primary alcohol
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00051133

Chemspider ID

10221804

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21596186

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate (NP0169763)

MOL for NP0169763 ((3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate)

3D MOL for NP0169763 ((3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate)

3D SDF for NP0169763 ((3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate)

3D-SDF for NP0169763 ((3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate)

PDB for NP0169763 ((3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate)

3D PDB for NP0169763 ((3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate)

SMILES for NP0169763 ((3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate)

INCHI for NP0169763 ((3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate)

Structure for NP0169763 ((3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate)

3D Structure for NP0169763 ((3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl benzoate)