NP-MRD: Showing NP-Card for 5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate (NP0190430)

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Record Information

Version

2.0

Created at

2022-09-04 07:06:00 UTC

Updated at

2022-09-04 07:06:00 UTC

NP-MRD ID

NP0190430

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate

Description

7,17-Dihydroxy-2,15-dimethyl-14-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-3-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-4-en-8-yl acetate belongs to the class of organic compounds known as gorgostanes and derivatives. These are steroids containing a gorgostane moiety, which a skeleton characterized by the presence. 5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate is found in Clavularia viridis. 7,17-Dihydroxy-2,15-dimethyl-14-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-3-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-4-en-8-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161520062D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004161520062D          

 36 40  0  0  0  0            999 V2000
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    6.6095   -1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8898   -0.5288    0.0000 O   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  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
    6.5807   -3.4873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -2.0807    0.0000 C   0  0  0  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  0  0  0  0  0  0  0  0  0  0
    5.2368   -3.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7686   -3.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4247   -3.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8928   -2.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330   -3.2587    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
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 15 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 11 35  1  0  0  0  0
 14 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0190430

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C(C)C1CC1C(C)C1CCC2C3CC(OC(C)=O)C4(O)CC=CC(=O)C4(C)C3C(O)CC12C

> <INCHI_IDENTIFIER>
InChI=1S/C31H48O5/c1-16(2)17(3)20-13-21(20)18(4)23-10-11-24-22-14-27(36-19(5)32)31(35)12-8-9-26(34)30(31,7)28(22)25(33)15-29(23,24)6/h8-9,16-18,20-25,27-28,33,35H,10-15H2,1-7H3

> <INCHI_KEY>
PDTMSYZMHRSEAH-UHFFFAOYSA-N

> <FORMULA>
C31H48O5

> <MOLECULAR_WEIGHT>
500.72

> <EXACT_MASS>
500.350174646

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
58.88662780903949

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7,17-dihydroxy-2,15-dimethyl-14-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-3-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-4-en-8-yl acetate

> <ALOGPS_LOGP>
4.22

> <JCHEM_LOGP>
5.086647130000001

> <ALOGPS_LOGS>
-5.71

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.857193426244176

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.152556269974667

> <JCHEM_PKA_STRONGEST_BASIC>
-2.849652712775139

> <JCHEM_POLAR_SURFACE_AREA>
83.83

> <JCHEM_REFRACTIVITY>
140.75969999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.78e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7,17-dihydroxy-2,15-dimethyl-14-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-3-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-4-en-8-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0      -1.586  -8.454   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.640  -7.238   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.221  -5.811   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.885  -7.448   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.465  -8.875   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.830  -6.233   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.041  -4.707   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.257  -5.652   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.782  -5.863   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.363  -7.289   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.727  -4.647   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.299  -3.168   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.574  -2.304   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.790  -3.249   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.306  -2.978   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.829  -1.529   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.345  -1.258   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      11.868   0.190   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      13.384   0.461   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      13.907   1.910   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      14.377  -0.716   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.338  -2.436   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      12.861  -0.987   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      13.854  -2.164   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.846  -3.342   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.323  -4.790   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.807  -5.061   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      12.284  -6.510   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      11.814  -3.884   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.291  -5.332   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.299  -4.155   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.775  -5.603   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      10.768  -6.781   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       8.259  -5.874   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.267  -4.697   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.595  -6.083   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6    8                                                       
CONECT    8    7    6    9                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   35                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   35                                                  
CONECT   15   14   16   31                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   17   23   24   29                                             
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   22   30   31                                             
CONECT   30   29                                                            
CONECT   31   29   15   32                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   11   14   36                                             
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   80    0
END

View in JSmol

Synonyms

Value	Source
7,17-Dihydroxy-2,15-dimethyl-14-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-3-oxotetracyclo[8.7.0.0,.0,]heptadec-4-en-8-yl acetic acid	Generator
7,17-Dihydroxy-2,15-dimethyl-14-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-3-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-4-en-8-yl acetic acid	Generator

Chemical Formula

C₃₁H₄₈O₅

Average Mass

500.7200 Da

Monoisotopic Mass

500.35017 Da

IUPAC Name

7,17-dihydroxy-2,15-dimethyl-14-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-3-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-4-en-8-yl acetate

Traditional Name

7,17-dihydroxy-2,15-dimethyl-14-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-3-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-4-en-8-yl acetate

CAS Registry Number

Not Available

SMILES

CC(C)C(C)C1CC1C(C)C1CCC2C3CC(OC(C)=O)C4(O)CC=CC(=O)C4(C)C3C(O)CC12C

InChI Identifier

InChI=1S/C31H48O5/c1-16(2)17(3)20-13-21(20)18(4)23-10-11-24-22-14-27(36-19(5)32)31(35)12-8-9-26(34)30(31,7)28(22)25(33)15-29(23,24)6/h8-9,16-18,20-25,27-28,33,35H,10-15H2,1-7H3

InChI Key

PDTMSYZMHRSEAH-UHFFFAOYSA-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
Clavularia viridis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gorgostanes and derivatives. These are steroids containing a gorgostane moiety, which a skeleton characterized by the presence.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Gorgostanes and derivatives

Direct Parent

Gorgostanes and derivatives

Alternative Parents

Substituents

Gorgostane-skeleton
Steroid ester
5-hydroxysteroid
Hydroxysteroid
11-hydroxysteroid
1-oxosteroid
Oxosteroid
Cyclohexenone
Cyclic alcohol
Tertiary alcohol
Ketone
Carboxylic acid ester
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
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	4.22	ALOGPS
logP	5.09	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Acidic)	13.15	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	83.83 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	140.76 m³·mol⁻¹	ChemAxon
Polarizability	58.89 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	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

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

73802221

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate (NP0190430)

MOL for NP0190430 (5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate)

3D MOL for NP0190430 (5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate)

3D SDF for NP0190430 (5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate)

3D-SDF for NP0190430 (5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate)

PDB for NP0190430 (5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate)

3D PDB for NP0190430 (5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate)

SMILES for NP0190430 (5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate)

INCHI for NP0190430 (5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate)

Structure for NP0190430 (5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate)

3D Structure for NP0190430 (5a,10-dihydroxy-9a,11a-dimethyl-1-{1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate)