NP-MRD: Showing NP-Card for (1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate (NP0144732)

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Record Information

Version

2.0

Created at

2022-09-01 23:46:40 UTC

Updated at

2022-09-01 23:46:40 UTC

NP-MRD ID

NP0144732

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate

Description

3Beta,8,14beta-Trihydroxy-11alpha-acetoxy-12beta-(benzoyloxy)pregn-5-en-20-one belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. (1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate is found in Hoya carnosa. Based on a literature review very few articles have been published on 3beta,8,14beta-Trihydroxy-11alpha-acetoxy-12beta-(benzoyloxy)pregn-5-en-20-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022201462D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309022201462D          

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    6.6095   -1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4216   -1.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9534   -1.7902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7655   -1.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6731   -2.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8610   -2.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -2.0807    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0489   -2.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5171   -2.2259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 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
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 30 36  1  0  0  0  0
 36 37  1  1  0  0  0
 38 36  1  1  0  0  0
  5 38  1  0  0  0  0
 26 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0144732

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@@H]1[C@@H](OC(=O)C2=CC=CC=C2)[C@]2(C)[C@H](CC[C@]2(O)[C@]2(O)CC=C3C[C@@H](O)CC[C@]3(C)[C@@H]12)C(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H38O8/c1-17(31)22-12-15-30(36)28(22,4)25(38-26(34)19-8-6-5-7-9-19)23(37-18(2)32)24-27(3)13-11-21(33)16-20(27)10-14-29(24,30)35/h5-10,21-25,33,35-36H,11-16H2,1-4H3/t21-,22+,23-,24+,25+,27-,28-,29-,30+/m0/s1

> <INCHI_KEY>
VBCXOSHRKXVLTQ-BKCAGBKISA-N

> <FORMULA>
C30H38O8

> <MOLECULAR_WEIGHT>
526.626

> <EXACT_MASS>
526.256668184

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
55.028436688871224

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,5S,10S,11R,14S,15S,16S,17S)-14-acetyl-17-(acetyloxy)-5,10,11-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-16-yl benzoate

> <ALOGPS_LOGP>
2.56

> <JCHEM_LOGP>
2.168887424666667

> <ALOGPS_LOGS>
-4.03

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.313228905842003

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.966882655944815

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3972418587613546

> <JCHEM_POLAR_SURFACE_AREA>
130.36

> <JCHEM_REFRACTIVITY>
138.3336

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.90e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,5S,10S,11R,14S,15S,16S,17S)-14-acetyl-17-(acetyloxy)-5,10,11-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-16-yl benzoate

> <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      11.238  -9.406   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.896  -8.284   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       9.380  -8.556   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      10.768  -6.781   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       9.775  -5.603   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.259  -5.874   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       7.736  -7.323   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       8.729  -8.500   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      10.245  -8.229   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       8.206  -9.949   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.198 -11.126   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.675 -12.574   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.159 -12.845   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.166 -11.668   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.690 -10.220   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.267  -4.697   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.595  -6.083   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.727  -4.647   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.782  -5.863   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.257  -5.652   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.363  -7.289   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.299  -3.168   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.574  -2.304   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.790  -3.249   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.159  -1.754   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       9.306  -2.978   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       8.725  -1.551   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       9.829  -1.529   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.345  -1.258   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.338  -2.436   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      13.854  -2.164   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      14.846  -3.342   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      16.362  -3.071   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      14.323  -4.790   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      12.807  -5.061   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      11.814  -3.884   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      11.291  -5.332   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      10.299  -4.155   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   38                                                  
CONECT    6    5    7   16                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10                                                       
CONECT   16    6   17   18   24                                             
CONECT   17   16                                                            
CONECT   18   16   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   18   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   16   25   26                                             
CONECT   25   24                                                            
CONECT   26   24   27   28   38                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   36                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   30   37   38                                             
CONECT   37   36                                                            
CONECT   38   36    5   26                                                  
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

View in JSmol

Synonyms

Value	Source
3b,8,14b-Trihydroxy-11a-acetoxy-12b-(benzoyloxy)pregn-5-en-20-one	Generator
3Β,8,14β-trihydroxy-11α-acetoxy-12β-(benzoyloxy)pregn-5-en-20-one	Generator

Chemical Formula

C₃₀H₃₈O₈

Average Mass

526.6260 Da

Monoisotopic Mass

526.25667 Da

IUPAC Name

(1S,2R,5S,10S,11R,14S,15S,16S,17S)-14-acetyl-17-(acetyloxy)-5,10,11-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-16-yl benzoate

Traditional Name

(1S,2R,5S,10S,11R,14S,15S,16S,17S)-14-acetyl-17-(acetyloxy)-5,10,11-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-16-yl benzoate

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@@H]1[C@@H](OC(=O)C2=CC=CC=C2)[C@]2(C)[C@H](CC[C@]2(O)[C@]2(O)CC=C3C[C@@H](O)CC[C@]3(C)[C@@H]12)C(C)=O

InChI Identifier

InChI=1S/C30H38O8/c1-17(31)22-12-15-30(36)28(22,4)25(38-26(34)19-8-6-5-7-9-19)23(37-18(2)32)24-27(3)13-11-21(33)16-20(27)10-14-29(24,30)35/h5-10,21-25,33,35-36H,11-16H2,1-4H3/t21-,22+,23-,24+,25+,27-,28-,29-,30+/m0/s1

InChI Key

VBCXOSHRKXVLTQ-BKCAGBKISA-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
Hoya carnosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Pregnane steroids

Direct Parent

Gluco/mineralocorticoids, progestogins and derivatives

Alternative Parents

Substituents

Progestogin-skeleton
Steroid ester
20-oxosteroid
3-hydroxy-delta-5-steroid
3-hydroxysteroid
3-beta-hydroxysteroid
3-beta-hydroxy-delta-5-steroid
14-hydroxysteroid
Oxosteroid
Hydroxysteroid
Delta-5-steroid
Benzoate ester
Benzoic acid or derivatives
Benzoyl
Monocyclic benzene moiety
Benzenoid
Dicarboxylic acid or derivatives
Cyclic alcohol
Tertiary alcohol
Ketone
Carboxylic acid ester
Secondary alcohol
Carboxylic acid derivative
Polyol
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Organic oxide
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
logP	2.56	ALOGPS
logP	2.17	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	12.97	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	130.36 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	138.33 m³·mol⁻¹	ChemAxon
Polarizability	55.03 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	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

8753418

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10578034

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate (NP0144732)

MOL for NP0144732 ((1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate)

3D MOL for NP0144732 ((1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate)

3D SDF for NP0144732 ((1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate)

3D-SDF for NP0144732 ((1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate)

PDB for NP0144732 ((1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate)

3D PDB for NP0144732 ((1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate)

SMILES for NP0144732 ((1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate)

INCHI for NP0144732 ((1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate)

Structure for NP0144732 ((1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate)

3D Structure for NP0144732 ((1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl benzoate)