NP-MRD: Showing NP-Card for (1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate (NP0255494)

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Record Information

Version

1.0

Created at

2022-09-07 20:00:58 UTC

Updated at

2022-09-07 20:00:58 UTC

NP-MRD ID

NP0255494

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate

Description

(2S,5S,7S,8S,10S,11S,14S,15S)-5-(acetyloxy)-14-[(2S)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-1(17)-en-8-yl acetate belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton. (1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate is found in Astropecten latespinosus. Based on a literature review very few articles have been published on (2S,5S,7S,8S,10S,11S,14S,15S)-5-(acetyloxy)-14-[(2S)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-1(17)-en-8-yl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072222002D          

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M  END

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M  END


  Mrv1652309072222002D          

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    5.0168   -2.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -1.5084    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2939   -0.8571    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9452   -1.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6425   -0.3508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8002   -0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6175   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9284   -1.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1238    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9411    0.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4474    0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2520   -0.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705   -2.4028    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5902   -3.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -3.3239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4978   -4.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0296   -4.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -4.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7493   -5.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -2.6932    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4342   -2.8384    0.0000 C   0  0  0  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  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  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  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  6  0  0  0
 19 21  1  6  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 15 29  1  0  0  0  0
 29 10  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 31 36  1  0  0  0  0
  8 36  1  0  0  0  0
 36 37  1  1  0  0  0
  5 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0255494

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C31H48O6/c1-18(2)14-21(34)17-31(7,35)28-9-8-24-23-16-27(37-20(4)33)26-15-22(36-19(3)32)10-12-29(26,5)25(23)11-13-30(24,28)6/h11,18,22-24,26-28,35H,8-10,12-17H2,1-7H3/t22-,23-,24-,26+,27-,28-,29+,30-,31-/m0/s1

> <INCHI_KEY>
WMORCKPJJLAVMQ-PGQBHQJPSA-N

> <FORMULA>
C31H48O6

> <MOLECULAR_WEIGHT>
516.719

> <EXACT_MASS>
516.345089266

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
60.715177517002076

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,5S,7S,8S,10S,11S,14S,15S)-5-(acetyloxy)-14-[(2S)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(17)-en-8-yl acetate

> <JCHEM_LOGP>
4.347857564

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.548499126677427

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.58388392261293

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9803801929286404

> <JCHEM_POLAR_SURFACE_AREA>
89.9

> <JCHEM_REFRACTIVITY>
142.68149999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,5S,7S,8S,10S,11S,14S,15S)-5-(acetyloxy)-14-[(2S)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(17)-en-8-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -3.737  -6.112   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.221  -5.841   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.229  -7.018   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -1.698  -4.392   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.182  -4.121   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.341  -2.673   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.857  -2.402   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.850  -3.579   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.373  -2.131   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.366  -3.308   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.889  -1.859   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.405  -1.588   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.398  -2.766   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.069  -1.380   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.874  -4.214   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.090  -5.159   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.365  -4.295   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.937  -2.816   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.882  -1.600   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.098  -2.545   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.666  -0.655   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      10.827  -0.384   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.353  -0.595   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      12.933  -2.021   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      13.298   0.621   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.823   0.410   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      15.769   1.626   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      15.404  -1.016   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.358  -4.485   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.835  -5.934   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.319  -6.205   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.796  -7.653   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       3.789  -8.830   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.305  -8.559   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       3.265 -10.279   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       2.326  -5.027   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       0.810  -5.298   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   37                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10   36                                             
CONECT    9    8                                                            
CONECT   10    8   11   29                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   18                                             
CONECT   14   13                                                            
CONECT   15   13   16   29                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   13   19                                                  
CONECT   19   18   20   21   22                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   19   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   15   10   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   31    8   37                                                  
CONECT   37   36    5                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Value	Source
(2S,5S,7S,8S,10S,11S,14S,15S)-5-(Acetyloxy)-14-[(2S)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadec-1(17)-en-8-yl acetic acid	Generator

Chemical Formula

C₃₁H₄₈O₆

Average Mass

516.7190 Da

Monoisotopic Mass

516.34509 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C31H48O6/c1-18(2)14-21(34)17-31(7,35)28-9-8-24-23-16-27(37-20(4)33)26-15-22(36-19(3)32)10-12-29(26,5)25(23)11-13-30(24,28)6/h11,18,22-24,26-28,35H,8-10,12-17H2,1-7H3/t22-,23-,24-,26+,27-,28-,29+,30-,31-/m0/s1

InChI Key

WMORCKPJJLAVMQ-PGQBHQJPSA-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
Astropecten latespinosus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Cholestane steroids

Direct Parent

Cholestane steroids

Alternative Parents

Substituents

Cholestane-skeleton
23-oxosteroid
Hydroxy bile acid, alcohol, or derivatives
Monohydroxy bile acid, alcohol, or derivatives
Bile acid, alcohol, or derivatives
Steroid ester
20-hydroxysteroid
Oxosteroid
Hydroxysteroid
Beta-hydroxy ketone
Dicarboxylic acid or derivatives
Tertiary alcohol
Carboxylic acid ester
Ketone
Carboxylic acid derivative
Hydrocarbon derivative
Alcohol
Carbonyl group
Organic oxide
Organic oxygen compound
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

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

162928925

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate (NP0255494)

MOL for NP0255494 ((1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate)

3D MOL for NP0255494 ((1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate)

3D SDF for NP0255494 ((1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate)

3D-SDF for NP0255494 ((1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate)

PDB for NP0255494 ((1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate)

3D PDB for NP0255494 ((1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate)

SMILES for NP0255494 ((1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate)

INCHI for NP0255494 ((1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate)

Structure for NP0255494 ((1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate)

3D Structure for NP0255494 ((1s,3as,3bs,5s,5as,7s,9as,11as)-7-(acetyloxy)-1-[(2s)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-5-yl acetate)