NP-MRD: Showing NP-Card for (1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one (NP0162589)

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Record Information

Version

2.0

Created at

2022-09-02 21:01:21 UTC

Updated at

2022-09-02 21:01:21 UTC

NP-MRD ID

NP0162589

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one

Description

(S,1bS,4S,5aR,5bS)-4-hydroxy--[(1S,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(1S)-1-[(1R,2S)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-1b-methyl-octahydro-H-naphtho[1,8a-b]oxiren--one belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one is found in Antillogorgia americana. Based on a literature review very few articles have been published on (S,1bS,4S,5aR,5bS)-4-hydroxy--[(1S,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(1S)-1-[(1R,2S)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-1b-methyl-octahydro-H-naphtho[1,8a-b]oxiren--one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022223012D          

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M  END

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M  END


  Mrv1652309022223012D          

 34 38  0  0  1  0            999 V2000
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    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007   -1.2330    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0044   -1.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5376   -2.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2712   -2.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343   -2.9599    0.0000 O   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  6  0  0  0
  6  4  1  6  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  6  0  0  0
 12 10  1  1  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  1  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 20 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  2  0  0  0  0
 15 30  1  0  0  0  0
 12 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0162589

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@@H](C)[C@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]([C@@H]2C[C@@H]3O[C@@]33C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO

> <INCHI_IDENTIFIER>
InChI=1S/C30H50O4/c1-17(2)19(4)28(6)16-24(28)18(3)22-8-9-23(27(22,5)12-13-31)21-14-25-30(34-25)15-20(32)10-11-29(30,7)26(21)33/h17-25,31-32H,8-16H2,1-7H3/t18-,19+,20-,21-,22+,23-,24+,25-,27+,28-,29+,30-/m0/s1

> <INCHI_KEY>
YAVBMUREITUUBC-PVACEKKZSA-N

> <FORMULA>
C30H50O4

> <MOLECULAR_WEIGHT>
474.726

> <EXACT_MASS>
474.37091009

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
56.71468236880932

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(S,1bS,4S,5aR,5bS)-4-hydroxy--[(1S,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(1S)-1-[(1R,2S)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-1b-methyl-octahydro-H-naphtho[1,8a-b]oxiren--one

> <ALOGPS_LOGP>
4.34

> <JCHEM_LOGP>
5.399265222999999

> <ALOGPS_LOGS>
-5.55

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.459835458535668

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.159736001362404

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7215324353994497

> <JCHEM_POLAR_SURFACE_AREA>
70.06

> <JCHEM_REFRACTIVITY>
135.32249999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.35e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(S,1bS,4S,5aR,5bS)-4-hydroxy--[(1S,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(1S)-1-[(1R,2S)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-1b-methyl-hexahydro-H-naphtho[1,8a-b]oxiren--one

> <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     -10.473  -4.874   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.993  -4.449   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.620  -2.955   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.885  -5.519   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.258  -7.014   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.405  -5.095   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.730  -6.479   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.566  -3.563   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.159  -4.190   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.627  -4.029   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.722  -5.274   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.001  -2.622   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.771  -1.288   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.741  -0.144   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.667   3.080   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.667  -1.540   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -1.495  -2.302   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.008  -2.638   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.003  -3.761   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.506  -4.066   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       0.997  -5.525   0.000  0.00  0.00           O+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    9                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8    6   10                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   30                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   30                                                  
CONECT   16   15   17   28                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18   20                                                       
CONECT   20   19   18   21   26                                             
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   20   27   28                                             
CONECT   27   26                                                            
CONECT   28   26   16   29                                                  
CONECT   29   28                                                            
CONECT   30   15   12   31   32                                             
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₅₀O₄

Average Mass

474.7260 Da

Monoisotopic Mass

474.37091 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)[C@@H](C)[C@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]([C@@H]2C[C@@H]3O[C@@]33C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO

InChI Identifier

InChI=1S/C30H50O4/c1-17(2)19(4)28(6)16-24(28)18(3)22-8-9-23(27(22,5)12-13-31)21-14-25-30(34-25)15-20(32)10-11-29(30,7)26(21)33/h17-25,31-32H,8-16H2,1-7H3/t18-,19+,20-,21-,22+,23-,24+,25-,27+,28-,29+,30-/m0/s1

InChI Key

YAVBMUREITUUBC-PVACEKKZSA-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
Pseudopterogorgia americana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Cyclopentane sesquiterpenoid
Oxepane
Cyclic alcohol
Secondary alcohol
Ketone
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Organic oxide
Organic oxygen compound
Primary alcohol
Alcohol
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	4.34	ALOGPS
logS	-5.6	ALOGPS

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

8157948

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9982358

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one (NP0162589)

MOL for NP0162589 ((1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one)

3D MOL for NP0162589 ((1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one)

3D SDF for NP0162589 ((1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one)

3D-SDF for NP0162589 ((1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one)

PDB for NP0162589 ((1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one)

3D PDB for NP0162589 ((1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one)

SMILES for NP0162589 ((1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one)

INCHI for NP0162589 ((1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one)

Structure for NP0162589 ((1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one)

3D Structure for NP0162589 ((1as,3s,4as,7s,8ar)-7-hydroxy-3-[(1s,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(1s)-1-[(1r,2s)-2-methyl-2-[(2r)-3-methylbutan-2-yl]cyclopropyl]ethyl]cyclopentyl]-4a-methyl-hexahydro-1ah-naphtho[1,8a-b]oxiren-4-one)