NP-MRD: Showing NP-Card for [(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate (NP0266350)

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Record Information

Version

2.0

Created at

2022-09-08 10:40:15 UTC

Updated at

2022-09-08 10:40:15 UTC

NP-MRD ID

NP0266350

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate

Description

Armatinol b belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Thus, armatinol b is considered to be a sterol. Based on a literature review very few articles have been published on Armatinol b.

Structure

MOL 3D MOL SDF PDB SMILES InChI

  Mrv1652309082212402D          

 35 38  0  0  1  0            999 V2000
    7.1358   -0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1358   -1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4214   -1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7069   -1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924   -1.6180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9924   -2.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -1.2055    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5243   -1.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9722   -0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7240    3.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1449    2.8520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6818    1.1842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.8503   -2.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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 10  9  1  1  0  0  0
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 13 14  1  1  0  0  0
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 15 16  1  6  0  0  0
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 17 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  1  0  0  0
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 11 28  1  0  0  0  0
 28 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 10 31  1  0  0  0  0
  7 31  1  0  0  0  0
 31 32  1  1  0  0  0
  2 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END

     RDKit          3D

 85 88  0  0  0  0  0  0  0  0999 V2000
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M  END

  Mrv1652309082212402D          

 35 38  0  0  1  0            999 V2000
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    4.4888    1.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7437    0.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -0.3850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9763   -0.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503   -1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5648   -1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503   -2.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 22 28  1  0  0  0  0
 11 28  1  0  0  0  0
 28 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 10 31  1  0  0  0  0
  7 31  1  0  0  0  0
 31 32  1  1  0  0  0
  2 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0266350

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C30H50O5/c1-18(2)19(3)7-8-20(4)24-9-10-25-23-15-27(33)30(34)16-22(32)11-14-29(30,17-35-21(5)31)26(23)12-13-28(24,25)6/h18,20,22-27,32-34H,3,7-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30+/m1/s1

> <INCHI_KEY>
LAVASOSSYAPADQ-WVMCKFTRSA-N

> <FORMULA>
C30H50O5

> <MOLECULAR_WEIGHT>
490.725

> <EXACT_MASS>
490.36582471

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
58.40302546031195

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(1S,2R,5S,7R,8R,10S,11S,14R,15R)-5,7,8-trihydroxy-15-methyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-2-yl]methyl acetate

> <JCHEM_LOGP>
4.311198673000001

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.701233004559011

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.223219533763125

> <JCHEM_PKA_STRONGEST_BASIC>
-2.728140300791286

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
137.8648

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(1S,2R,5S,7R,8R,10S,11S,14R,15R)-5,7,8-trihydroxy-15-methyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-2-yl]methyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      13.320  -0.710   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.320  -2.250   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.987  -3.020   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.653  -2.250   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.319  -3.020   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.319  -4.560   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.986  -2.250   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.579  -2.877   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.548  -1.732   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.318  -0.399   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.842   1.066   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.336   1.386   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.860   2.851   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.354   3.171   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.891   3.995   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.384   4.316   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.415   5.460   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.445   6.604   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.969   8.069   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.951   6.284   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.427   4.820   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.397   3.675   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.903   3.355   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       8.934   4.499   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      10.440   4.179   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.916   2.715   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      11.470   5.324   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       6.873   2.211   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.379   1.890   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.855   0.426   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.825  -0.719   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.289  -1.195   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      14.654  -3.020   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      15.988  -2.250   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.654  -4.560   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   33                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   31                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   31                                                  
CONECT   11   10   12   28                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17   22                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   15   23   28                                             
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   22   11   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   10    7   32                                             
CONECT   32   31                                                            
CONECT   33    2   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₅₀O₅

Average Mass

490.7250 Da

Monoisotopic Mass

490.36582 Da

IUPAC Name

[(1S,2R,5S,7R,8R,10S,11S,14R,15R)-5,7,8-trihydroxy-15-methyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-2-yl]methyl acetate

Traditional Name

[(1S,2R,5S,7R,8R,10S,11S,14R,15R)-5,7,8-trihydroxy-15-methyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-2-yl]methyl acetate

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C30H50O5/c1-18(2)19(3)7-8-20(4)24-9-10-25-23-15-27(33)30(34)16-22(32)11-14-29(30,17-35-21(5)31)26(23)12-13-28(24,25)6/h18,20,22-27,32-34H,3,7-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30+/m1/s1

InChI Key

LAVASOSSYAPADQ-WVMCKFTRSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Ergostane steroids

Direct Parent

Ergosterols and derivatives

Alternative Parents

Substituents

Ergosterol-skeleton
3-hydroxysteroid
6-hydroxysteroid
3-beta-hydroxysteroid
5-hydroxysteroid
Hydroxysteroid
Cyclic alcohol
Tertiary alcohol
Secondary alcohol
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Polyol
Alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Organooxygen compound
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic 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	4.31	ChemAxon
pKa (Strongest Acidic)	13.22	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	86.99 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	137.86 m³·mol⁻¹	ChemAxon
Polarizability	58.4 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

C00044539

Chemspider ID

9561222

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11386309

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate (NP0266350)

MOL for NP0266350 ([(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate)

3D MOL for NP0266350 ([(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate)

3D SDF for NP0266350 ([(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate)

3D-SDF for NP0266350 ([(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate)

PDB for NP0266350 ([(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate)

3D PDB for NP0266350 ([(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate)

SMILES for NP0266350 ([(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate)

INCHI for NP0266350 ([(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate)

Structure for NP0266350 ([(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate)

3D Structure for NP0266350 ([(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate)