NP-MRD: Showing NP-Card for (3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one (NP0141900)

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Record Information

Version

2.0

Created at

2022-09-01 20:19:11 UTC

Updated at

2022-09-01 20:19:11 UTC

NP-MRD ID

NP0141900

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one

Description

CHEMBL3632946 belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one is found in Alisma plantago-aquatica. Based on a literature review very few articles have been published on CHEMBL3632946.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309012222192D          

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M  END

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M  END


  Mrv1652309012222192D          

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    1.7494   -2.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2812   -1.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934   -2.1066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6252   -1.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3737   -2.8825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1858   -3.0277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9055   -2.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7176   -2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5297   -2.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -3.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6221   -3.4634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2782   -3.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9942   -4.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -4.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661   -3.8037    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9343   -4.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1221   -4.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418   -3.5132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3100   -4.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0297   -3.3680    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9702   -4.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784   -3.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6955   -3.4114    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 19 17  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 20 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 19 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 15 34  1  0  0  0  0
 34 35  1  6  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 14 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0141900

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCOC(C)(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C32H54O5/c1-10-37-29(5,6)27(36)23(34)17-19(2)20-11-15-31(8)21(20)18-22(33)26-30(7)14-13-25(35)28(3,4)24(30)12-16-32(26,31)9/h19,22-24,26-27,33-34,36H,10-18H2,1-9H3/t19-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1

> <INCHI_KEY>
QVVRXENOONWNGX-IPAXGOGQSA-N

> <FORMULA>
C32H54O5

> <MOLECULAR_WEIGHT>
518.779

> <EXACT_MASS>
518.397124839

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
91

> <JCHEM_AVERAGE_POLARIZABILITY>
60.867163485129254

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S,7R,10S,11R,17S)-14-[(2R,4S,5R)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-17-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-14-en-5-one

> <ALOGPS_LOGP>
5.02

> <JCHEM_LOGP>
4.746027470333332

> <ALOGPS_LOGS>
-5.04

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.976928229163494

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.044992870462185

> <JCHEM_PKA_STRONGEST_BASIC>
-0.33929425236954647

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
148.52380000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.74e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,7R,10S,11R,17S)-14-[(2R,4S,5R)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-17-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-14-en-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 01-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-SEP-22         0                                  
HETATM    1  C   UNK     0      -7.576   0.559   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.631  -0.657   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -5.105  -0.447   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -4.160  -1.662   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.376  -2.608   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.944  -0.717   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.215  -2.878   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -3.795  -4.305   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.690  -2.668   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.109  -1.241   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.744  -3.883   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.781  -3.673   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.362  -2.246   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.726  -4.889   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.266  -4.839   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.258  -3.661   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.774  -3.932   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.767  -2.755   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.297  -5.381   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.813  -5.652   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.290  -4.203   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.806  -4.474   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.322  -4.746   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.845  -6.194   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      12.361  -6.465   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       9.853  -7.371   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.322  -8.817   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.184  -8.144   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.337  -7.100   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.344  -8.277   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.828  -8.006   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.305  -6.558   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.312  -7.735   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.789  -6.287   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.678  -7.823   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.573  -7.232   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.298  -6.368   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6    7                                             
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    4    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   37                                                  
CONECT   15   14   16   34                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   32                                                  
CONECT   20   19   21   22   29                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28   29                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   26   20   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   19   33   34                                             
CONECT   33   32                                                            
CONECT   34   32   15   35   36                                             
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   14                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₅₄O₅

Average Mass

518.7790 Da

Monoisotopic Mass

518.39712 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCOC(C)(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1

InChI Identifier

InChI=1S/C32H54O5/c1-10-37-29(5,6)27(36)23(34)17-19(2)20-11-15-31(8)21(20)18-22(33)26-30(7)14-13-25(35)28(3,4)24(30)12-16-32(26,31)9/h19,22-24,26-27,33-34,36H,10-18H2,1-9H3/t19-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1

InChI Key

QVVRXENOONWNGX-IPAXGOGQSA-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
Alisma plantago-aquatica	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
24-hydroxysteroid
23-hydroxysteroid
3-oxosteroid
3-oxo-5-alpha-steroid
11-hydroxysteroid
11-beta-hydroxysteroid
Oxosteroid
Hydroxysteroid
Steroid
Cyclic alcohol
Cyclic ketone
Secondary alcohol
Ketone
Dialkyl ether
Ether
Alcohol
Organic oxygen compound
Organic oxide
Carbonyl group
Hydrocarbon derivative
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

58937959

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

122194865

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one (NP0141900)

MOL for NP0141900 ((3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one)

3D MOL for NP0141900 ((3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one)

3D SDF for NP0141900 ((3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one)

3D-SDF for NP0141900 ((3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one)

PDB for NP0141900 ((3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one)

3D PDB for NP0141900 ((3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one)

SMILES for NP0141900 ((3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one)

INCHI for NP0141900 ((3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one)

Structure for NP0141900 ((3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one)

3D Structure for NP0141900 ((3ar,3bs,5ar,9as,9bs,10s)-1-[(2r,4s,5r)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one)