NP-MRD: Showing NP-Card for (3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate (NP0178092)

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Record Information

Version

2.0

Created at

2022-09-03 16:01:38 UTC

Updated at

2022-09-03 16:01:38 UTC

NP-MRD ID

NP0178092

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate

Description

(3AS,4S,5S,5aR,6R,9S,9aS,9bR)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-dodecahydronaphtho[1,2-b]furan-4-yl (2R,3R)-2,3-dimethyloxirane-2-carboxylate belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. (3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate is found in Calostephane divaricata. Based on a literature review very few articles have been published on (3aS,4S,5S,5aR,6R,9S,9aS,9bR)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-dodecahydronaphtho[1,2-b]furan-4-yl (2R,3R)-2,3-dimethyloxirane-2-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032218012D          

 37 40  0  0  1  0            999 V2000
    4.2295    1.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3613   -0.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963   -0.2691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7983    1.0622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 35 37  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309032218012D          

 37 40  0  0  1  0            999 V2000
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    0.2799   -0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245    1.1395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0655    1.8665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8901    1.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3247    1.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2801    2.6193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  2  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  1  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  1  0  0  0
  8 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27  6  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  1  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0178092

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C(\C)C(=O)O[C@@H]1[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@@H]2[C@@H](OC(=O)C2=C)[C@H]2[C@@](C)(O)CC[C@@H](OC(C)=O)[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C27H36O10/c1-9-12(2)22(29)36-21-19(35-24(31)27(8)14(4)37-27)17-13(3)23(30)34-18(17)20-25(6,32)11-10-16(26(20,21)7)33-15(5)28/h9,14,16-21,32H,3,10-11H2,1-2,4-8H3/b12-9-/t14-,16-,17+,18-,19+,20+,21-,25+,26+,27-/m1/s1

> <INCHI_KEY>
KTLYEGCHMYMKHO-FAPIDYPSSA-N

> <FORMULA>
C27H36O10

> <MOLECULAR_WEIGHT>
520.575

> <EXACT_MASS>
520.230847359

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
52.9115058128439

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3aS,4S,5S,5aR,6R,9S,9aS,9bR)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-dodecahydronaphtho[1,2-b]furan-4-yl (2R,3R)-2,3-dimethyloxirane-2-carboxylate

> <JCHEM_LOGP>
2.7478403889999994

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.675501325052611

> <JCHEM_PKA_STRONGEST_BASIC>
-2.940735720421971

> <JCHEM_POLAR_SURFACE_AREA>
137.96

> <JCHEM_REFRACTIVITY>
127.7915

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3aS,4S,5S,5aR,6R,9S,9aS,9bR)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2R,3R)-2,3-dimethyloxirane-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       7.895   2.610   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.719   1.616   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.832   0.080   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       8.141  -0.731   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       5.406  -0.502   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.412   0.674   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.223   1.983   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.495   3.340   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.307   4.649   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.846   4.601   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       7.574   3.244   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       7.657   5.910   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.509   6.936   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       9.087   5.338   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       8.867   6.862   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.439   8.292   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.956   3.388   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.228   4.745   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       3.040   6.054   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.579   6.006   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.312   7.411   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.772   7.459   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.123   8.720   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.662   8.672   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.145   2.079   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.417   3.436   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.873   0.722   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.062  -0.587   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.492  -1.159   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       1.747  -2.095   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       0.522  -0.539   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.206   0.818   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.606   2.127   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -0.122   3.484   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -1.662   3.532   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -2.473   2.223   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -2.389   4.889   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   27                                                  
CONECT    7    6    2    8                                                  
CONECT    8    7    9   17                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   12   16                                                  
CONECT   16   15                                                            
CONECT   17    8   18   25                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23                                                            
CONECT   25   17   26   27   33                                             
CONECT   26   25                                                            
CONECT   27   25    6   28                                                  
CONECT   28   27   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   25   34                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Value	Source
(3AS,4S,5S,5ar,6R,9S,9as,9BR)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-dodecahydronaphtho[1,2-b]furan-4-yl (2R,3R)-2,3-dimethyloxirane-2-carboxylic acid	Generator

Chemical Formula

C₂₇H₃₆O₁₀

Average Mass

520.5750 Da

Monoisotopic Mass

520.23085 Da

IUPAC Name

(3aS,4S,5S,5aR,6R,9S,9aS,9bR)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-dodecahydronaphtho[1,2-b]furan-4-yl (2R,3R)-2,3-dimethyloxirane-2-carboxylate

Traditional Name

(3aS,4S,5S,5aR,6R,9S,9aS,9bR)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2R,3R)-2,3-dimethyloxirane-2-carboxylate

CAS Registry Number

Not Available

SMILES

C\C=C(\C)C(=O)O[C@@H]1[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@@H]2[C@@H](OC(=O)C2=C)[C@H]2[C@@](C)(O)CC[C@@H](OC(C)=O)[C@]12C

InChI Identifier

InChI=1S/C27H36O10/c1-9-12(2)22(29)36-21-19(35-24(31)27(8)14(4)37-27)17-13(3)23(30)34-18(17)20-25(6,32)11-10-16(26(20,21)7)33-15(5)28/h9,14,16-21,32H,3,10-11H2,1-2,4-8H3/b12-9-/t14-,16-,17+,18-,19+,20+,21-,25+,26+,27-/m1/s1

InChI Key

KTLYEGCHMYMKHO-FAPIDYPSSA-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
Calostephane divaricata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Eudesmanolides, secoeudesmanolides, and derivatives

Alternative Parents

Substituents

Eudesmanolide
Sesquiterpenoid
Tetracarboxylic acid or derivatives
Naphthofuran
Fatty acid ester
Fatty acyl
Gamma butyrolactone
Oxirane carboxylic acid or derivatives
Oxirane carboxylic acid
Cyclic alcohol
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Tertiary alcohol
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Oxacycle
Organoheterocyclic compound
Carbonyl group
Alcohol
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Organooxygen compound
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	2.75	ChemAxon
pKa (Strongest Acidic)	14.68	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	137.96 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	127.79 m³·mol⁻¹	ChemAxon
Polarizability	52.91 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	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

14314450

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate (NP0178092)

MOL for NP0178092 ((3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate)

3D MOL for NP0178092 ((3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate)

3D SDF for NP0178092 ((3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate)

3D-SDF for NP0178092 ((3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate)

PDB for NP0178092 ((3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate)

3D PDB for NP0178092 ((3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate)

SMILES for NP0178092 ((3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate)

INCHI for NP0178092 ((3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate)

Structure for NP0178092 ((3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate)

3D Structure for NP0178092 ((3as,4s,5s,5ar,6r,9s,9as,9br)-6-(acetyloxy)-9-hydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate)