NP-MRD: Showing NP-Card for (1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate (NP0327886)

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Record Information

Version

2.0

Created at

2022-09-12 10:51:52 UTC

Updated at

2022-09-12 10:51:53 UTC

NP-MRD ID

NP0327886

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate

Description

PEPLUANONE belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate was first documented in 2005 (PMID: 16250665). Based on a literature review very few articles have been published on PEPLUANONE (PMID: 17561395).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122212512D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309122212512D          

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    5.6999   -0.9919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5881   -3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1053   -4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -4.7536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845   -3.9173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6732   -4.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9574   -4.0611    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8738   -4.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1736   -4.3185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0046   -5.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195   -5.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4033   -5.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4505   -6.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588   -3.7684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7386   -3.8572    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3283   -4.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7431   -5.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3328   -6.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7476   -6.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3374   -7.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4876   -7.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9024   -6.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4921   -6.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4006   -3.1046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4069   -2.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0120   -2.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -2.9609    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8114   -2.1401    0.0000 O   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  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  1  0  0  0
 29 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 32 37  1  0  0  0  0
 29 38  1  0  0  0  0
 38 39  1  1  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 28 41  1  0  0  0  0
  5 41  1  0  0  0  0
 41 42  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0327886

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1C[C@@]2(O)[C@H]([C@H]1OCC1=CC=CC=C1)[C@@H](OC(C)=O)[C@]1(C)C[C@@H]3[C@@H](C[C@](C)(CC3=O)OC(C)=O)[C@]1(C)[C@H]2OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C33H44O9/c1-18-13-33(38)26(27(18)39-17-22-11-9-8-10-12-22)28(40-19(2)34)31(6)14-23-24(32(31,7)29(33)41-20(3)35)15-30(5,16-25(23)37)42-21(4)36/h8-12,18,23-24,26-29,38H,13-17H2,1-7H3/t18-,23+,24+,26+,27-,28+,29+,30+,31-,32+,33+/m0/s1

> <INCHI_KEY>
JDDGUVGCYGGUKJ-CUIJYAKYSA-N

> <FORMULA>
C33H44O9

> <MOLECULAR_WEIGHT>
584.706

> <EXACT_MASS>
584.298532997

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
62.52563692012883

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S,3aR,4R,4aS,4bR,6R,8aR,9aR,10R,10aR)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-hexadecahydrocyclopenta[b]fluoren-10-yl acetate

> <JCHEM_LOGP>
3.0880381383333306

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.55124750833217

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.411548731380893

> <JCHEM_PKA_STRONGEST_BASIC>
-3.493587166987358

> <JCHEM_POLAR_SURFACE_AREA>
125.43

> <JCHEM_REFRACTIVITY>
150.49410000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,3aR,4R,4aS,4bR,6R,8aR,9aR,10R,10aR)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1H-cyclopenta[b]fluoren-10-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       4.171  -1.005   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.856  -2.512   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.393  -2.993   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       5.004  -3.539   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.688  -5.046   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.836  -6.073   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.307  -4.607   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.367  -5.907   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.268  -4.659   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.800  -4.815   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.688  -3.279   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      11.293  -4.438   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      11.713  -2.956   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.206  -2.579   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      10.640  -1.851   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      10.431  -6.220   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.530  -7.468   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      10.161  -8.873   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       7.998  -7.312   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.857  -8.346   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.521  -7.581   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.364  -9.113   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.057  -8.061   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       3.742  -9.569   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       4.890 -10.595   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.353 -10.115   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.574 -12.103   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       2.910  -7.034   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.379  -7.200   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.613  -8.536   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       1.387  -9.867   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.621 -11.204   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.396 -12.535   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.630 -13.871   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.910 -13.876   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.684 -12.545   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -0.919 -11.208   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       0.748  -5.795   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -0.760  -5.480   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.889  -4.761   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.225  -5.527   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       3.381  -3.995   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   41                                                  
CONECT    6    5    7    8   21                                             
CONECT    7    6                                                            
CONECT    8    6    9   19                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12   16                                             
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   10   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17    8   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20    6   22   23                                             
CONECT   22   21                                                            
CONECT   23   21   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   23   29   41                                                  
CONECT   29   28   30   38                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   32                                                       
CONECT   38   29   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   28    5   42                                             
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₄₄O₉

Average Mass

584.7060 Da

Monoisotopic Mass

584.29853 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]1C[C@@]2(O)[C@H]([C@H]1OCC1=CC=CC=C1)[C@@H](OC(C)=O)[C@]1(C)C[C@@H]3[C@@H](C[C@](C)(CC3=O)OC(C)=O)[C@]1(C)[C@H]2OC(C)=O

InChI Identifier

InChI=1S/C33H44O9/c1-18-13-33(38)26(27(18)39-17-22-11-9-8-10-12-22)28(40-19(2)34)31(6)14-23-24(32(31,7)29(33)41-20(3)35)15-30(5,16-25(23)37)42-21(4)36/h8-12,18,23-24,26-29,38H,13-17H2,1-7H3/t18-,23+,24+,26+,27-,28+,29+,30+,31-,32+,33+/m0/s1

InChI Key

JDDGUVGCYGGUKJ-CUIJYAKYSA-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 diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Benzylether
Tricarboxylic acid or derivatives
Monocyclic benzene moiety
Benzenoid
Cyclic alcohol
Tertiary alcohol
Ketone
Carboxylic acid ester
Ether
Dialkyl ether
Carboxylic acid derivative
Hydrocarbon derivative
Alcohol
Carbonyl group
Organic oxide
Organic oxygen compound
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic 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

23295407

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44433090

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Barile E, Fattorusso E, Ialenti A, Ianaro A, Lanzotti V: Paraliane and pepluane diterpenes as anti-inflammatory agents: first insights in structure-activity relationships. Bioorg Med Chem Lett. 2007 Aug 1;17(15):4196-200. doi: 10.1016/j.bmcl.2007.05.072. Epub 2007 May 25. [PubMed:17561395 ]
Corea G, Fattorusso E, Lanzotti V, Di Meglio P, Maffia P, Grassia G, Ialenti A, Ianaro A: Discovery and biological evaluation of the novel naturally occurring diterpene pepluanone as antiinflammatory agent. J Med Chem. 2005 Nov 3;48(22):7055-62. doi: 10.1021/jm050321r. [PubMed:16250665 ]
LOTUS database [Link]

Showing NP-Card for (1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate (NP0327886)

MOL for NP0327886 ((1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate)

3D MOL for NP0327886 ((1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate)

3D SDF for NP0327886 ((1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate)

3D-SDF for NP0327886 ((1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate)

PDB for NP0327886 ((1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate)

3D PDB for NP0327886 ((1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate)

SMILES for NP0327886 ((1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate)

INCHI for NP0327886 ((1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate)

Structure for NP0327886 ((1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate)

3D Structure for NP0327886 ((1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate)