NP-MRD: Showing NP-Card for (3ar,4as,6s,7as,9as)-3,5,8-trimethylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one (NP0192368)

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Record Information

Version

2.0

Created at

2022-09-04 09:33:48 UTC

Updated at

2022-09-04 09:33:48 UTC

NP-MRD ID

NP0192368

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3ar,4as,6s,7as,9as)-3,5,8-trimethylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one

Description

(3AR,4aS,6S,7aS,9aS)-3,5,8-trimethylidene-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[6,5-b]furan-2-one belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Based on a literature review very few articles have been published on (3aR,4aS,6S,7aS,9aS)-3,5,8-trimethylidene-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[6,5-b]furan-2-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309042211332D          

 29 32  0  0  1  0            999 V2000
    2.7580    1.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1159    0.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409    0.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4553    0.3230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2770    0.3970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6013   -0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4056   -0.5452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9800   -0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0539   -1.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2717   -0.4813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5284   -0.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7851   -0.4813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0769   -0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0030   -1.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4556   -0.3617    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6513   -0.5452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902    0.0595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7141   -0.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2753    0.4807    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0796    0.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3228   -0.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0321    1.2691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5932    1.8738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2278    1.4527    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0154    2.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3334    0.8479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1377    1.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799    0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6016    0.3230    0.0000 C   0  0  2  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  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  1  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 17 26  1  0  0  0  0
 26 27  1  1  0  0  0
 15 28  1  0  0  0  0
 29 28  1  6  0  0  0
  2 29  1  0  0  0  0
 12 29  1  0  0  0  0
M  END


  Mrv1652309042211332D          

 29 32  0  0  1  0            999 V2000
    2.7580    1.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1159    0.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409    0.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4553    0.3230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2770    0.3970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6013   -0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4056   -0.5452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9800   -0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0539   -1.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2717   -0.4813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5284   -0.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7851   -0.4813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0769   -0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0030   -1.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4556   -0.3617    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6513   -0.5452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902    0.0595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7141   -0.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2753    0.4807    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0796    0.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3228   -0.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0321    1.2691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5932    1.8738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2278    1.4527    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0154    2.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3334    0.8479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1377    1.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799    0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6016    0.3230    0.0000 C   0  0  2  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  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  1  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 17 26  1  0  0  0  0
 26 27  1  1  0  0  0
 15 28  1  0  0  0  0
 29 28  1  6  0  0  0
  2 29  1  0  0  0  0
 12 29  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0192368

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@@H](O[C@H]2C[C@H]3[C@H](C[C@H]4[C@H](CC3=C)OC(=O)C4=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H28O8/c1-8-4-15-13(10(3)20(26)27-15)5-12-9(2)14(6-11(8)12)28-21-19(25)18(24)17(23)16(7-22)29-21/h11-19,21-25H,1-7H2/t11-,12-,13-,14+,15+,16-,17-,18+,19-,21-/m1/s1

> <INCHI_KEY>
HYHULTLAIDHNLO-LLQGMIACSA-N

> <FORMULA>
C21H28O8

> <MOLECULAR_WEIGHT>
408.447

> <EXACT_MASS>
408.178417862

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
41.945143848146714

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3aR,4aS,6S,7aS,9aS)-3,5,8-trimethylidene-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[6,5-b]furan-2-one

> <JCHEM_LOGP>
-0.004345225333333397

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.199908344449373

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.210096029389137

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810836843960375

> <JCHEM_POLAR_SURFACE_AREA>
125.68000000000002

> <JCHEM_REFRACTIVITY>
99.97720000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(3aR,4aS,6S,7aS,9aS)-3,5,8-trimethylidene-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       5.148   3.194   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.816   1.807   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.356   1.807   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.317   0.603   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       9.850   0.741   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      10.456  -0.675   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      11.957  -1.018   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       9.296  -1.688   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.434  -3.222   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.974  -0.898   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.586  -1.567   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.199  -0.898   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.877  -1.688   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.739  -3.222   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.717  -0.675   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.216  -1.018   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.168   0.111   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -1.333  -0.232   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -2.381   0.897   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.882   0.555   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -4.336  -0.917   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -1.927   2.369   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -2.974   3.498   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -0.425   2.712   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.029   4.183   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.622   1.583   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       2.124   1.925   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       3.322   0.741   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.856   0.603   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   29                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8    4   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   29                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   28                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   26                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   17   27                                                  
CONECT   27   26                                                            
CONECT   28   15   29                                                       
CONECT   29   28    2   12                                                  
MASTER        0    0    0    0    0    0    0    0   29    0   64    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₂₈O₈

Average Mass

408.4470 Da

Monoisotopic Mass

408.17842 Da

IUPAC Name

(3aR,4aS,6S,7aS,9aS)-3,5,8-trimethylidene-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[6,5-b]furan-2-one

Traditional Name

(3aR,4aS,6S,7aS,9aS)-3,5,8-trimethylidene-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@H](O[C@H]2C[C@H]3[C@H](C[C@H]4[C@H](CC3=C)OC(=O)C4=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C21H28O8/c1-8-4-15-13(10(3)20(26)27-15)5-12-9(2)14(6-11(8)12)28-21-19(25)18(24)17(23)16(7-22)29-21/h11-19,21-25H,1-7H2/t11-,12-,13-,14+,15+,16-,17-,18+,19-,21-/m1/s1

InChI Key

HYHULTLAIDHNLO-LLQGMIACSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Guaianolides and derivatives

Alternative Parents

Substituents

Guaianolide-skeleton
Terpene glycoside
Guaiane sesquiterpenoid
Sesquiterpenoid
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Gamma butyrolactone
Monosaccharide
Oxane
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Secondary alcohol
Carboxylic acid ester
Lactone
Polyol
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Acetal
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Alcohol
Primary alcohol
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	-0.0043	ChemAxon
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	125.68 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	99.98 m³·mol⁻¹	ChemAxon
Polarizability	41.95 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

162872782

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3ar,4as,6s,7as,9as)-3,5,8-trimethylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one (NP0192368)

MOL for NP0192368 ((3ar,4as,6s,7as,9as)-3,5,8-trimethylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one)

3D MOL for NP0192368 ((3ar,4as,6s,7as,9as)-3,5,8-trimethylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one)

3D SDF for NP0192368 ((3ar,4as,6s,7as,9as)-3,5,8-trimethylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one)

3D-SDF for NP0192368 ((3ar,4as,6s,7as,9as)-3,5,8-trimethylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one)

PDB for NP0192368 ((3ar,4as,6s,7as,9as)-3,5,8-trimethylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one)

3D PDB for NP0192368 ((3ar,4as,6s,7as,9as)-3,5,8-trimethylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one)

SMILES for NP0192368 ((3ar,4as,6s,7as,9as)-3,5,8-trimethylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one)

INCHI for NP0192368 ((3ar,4as,6s,7as,9as)-3,5,8-trimethylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one)

Structure for NP0192368 ((3ar,4as,6s,7as,9as)-3,5,8-trimethylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one)

3D Structure for NP0192368 ((3ar,4as,6s,7as,9as)-3,5,8-trimethylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[6,5-b]furan-2-one)