NP-MRD: Showing NP-Card for 4,9-dihydroxy-4a,8-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate (NP0224078)

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Record Information

Version

2.0

Created at

2022-09-06 02:20:46 UTC

Updated at

2022-09-06 02:20:46 UTC

NP-MRD ID

NP0224078

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,9-dihydroxy-4a,8-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate

Description

4,9-Dihydroxy-4a,8-dimethyl-7-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-dodecahydroazuleno[6,5-b]furan-5-yl 2-methylbut-2-enoate belongs to the class of organic compounds known as sesquiterpene lactones. These are sesquiterpenoids containing a lactone ring. 4,9-Dihydroxy-4a,8-dimethyl-7-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-dodecahydroazuleno[6,5-b]furan-5-yl 2-methylbut-2-enoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004191516212D          

 33 35  0  0  0  0            999 V2000
   -2.0843   -2.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6612   -1.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8363   -1.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4131   -0.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -2.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576   -2.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904   -2.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136   -1.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4893   -0.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106   -0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0366    0.5445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2881    0.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141    1.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3865    0.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1351    0.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2091    1.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3126   -0.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188   -0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8558    0.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621   -0.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621    0.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054   -0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890   -1.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3107   -1.5786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6349   -0.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4392   -0.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0136   -0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0876    0.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9746   -2.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326   -2.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1496   -2.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -2.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352   -1.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  4  0  0  0
 14 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  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  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  8 33  1  0  0  0  0
 18 33  1  0  0  0  0
M  END


  Mrv1533004191516212D          

 33 35  0  0  0  0            999 V2000
   -2.0843   -2.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6612   -1.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8363   -1.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4131   -0.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -2.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576   -2.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904   -2.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136   -1.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4893   -0.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106   -0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0366    0.5445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2881    0.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141    1.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3865    0.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1351    0.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2091    1.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3126   -0.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188   -0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8558    0.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621   -0.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621    0.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054   -0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890   -1.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3107   -1.5786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6349   -0.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4392   -0.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0136   -0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0876    0.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9746   -2.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326   -2.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1496   -2.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -2.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352   -1.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  4  0  0  0
 14 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  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  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  8 33  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0224078

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC=C(C)C(=O)OC1CC(OC(=O)C(C)=CC)C2(C)C1C(C)C(O)C1OC(=O)C(=C)C1C2O

> <INCHI_IDENTIFIER>
InChI=1S/C25H34O8/c1-8-11(3)22(28)31-15-10-16(32-23(29)12(4)9-2)25(7)18(15)14(6)19(26)20-17(21(25)27)13(5)24(30)33-20/h8-9,14-21,26-27H,5,10H2,1-4,6-7H3

> <INCHI_KEY>
LUAMQGUHLJTZLC-UHFFFAOYSA-N

> <FORMULA>
C25H34O8

> <MOLECULAR_WEIGHT>
462.539

> <EXACT_MASS>
462.225368055

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
48.66433315318211

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,9-dihydroxy-4a,8-dimethyl-7-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-dodecahydroazuleno[6,5-b]furan-5-yl 2-methylbut-2-enoate

> <ALOGPS_LOGP>
2.60

> <JCHEM_LOGP>
3.332921515333333

> <ALOGPS_LOGS>
-3.41

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.398445670847806

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.731171797899098

> <JCHEM_PKA_STRONGEST_BASIC>
-3.138670735729864

> <JCHEM_POLAR_SURFACE_AREA>
119.36

> <JCHEM_REFRACTIVITY>
119.8451

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.79e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,9-dihydroxy-4a,8-dimethyl-7-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3aH-azuleno[6,5-b]furan-5-yl 2-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0      -3.891  -4.200   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.101  -2.878   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.561  -2.901   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.771  -1.579   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.811  -4.246   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.601  -5.568   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       0.729  -4.269   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.519  -2.947   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.913  -1.531   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.073  -0.517   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.935   1.016   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.538   1.664   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       0.400   3.198   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -0.722   0.777   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.119   1.425   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.257   2.959   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.584  -0.756   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.395  -1.307   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.464   0.231   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.783  -0.639   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.783   0.901   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       6.170  -1.307   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.513  -2.809   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       8.047  -2.947   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       8.652  -1.531   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      10.153  -1.188   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       7.492  -0.517   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.630   1.016   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.553  -4.013   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.221  -5.400   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.013  -4.013   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.344  -5.400   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.052  -2.809   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   33                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   18                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14                                                            
CONECT   18   10   19   20   33                                             
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   27                                                  
CONECT   23   22   24   29                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   22   28                                                  
CONECT   28   27                                                            
CONECT   29   23   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31    8   18                                                  
MASTER        0    0    0    0    0    0    0    0   33    0   70    0
END

View in JSmol

Synonyms

Value	Source
4,9-Dihydroxy-4a,8-dimethyl-7-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-dodecahydroazuleno[6,5-b]furan-5-yl 2-methylbut-2-enoic acid	Generator

Chemical Formula

C₂₅H₃₄O₈

Average Mass

462.5390 Da

Monoisotopic Mass

462.22537 Da

IUPAC Name

4,9-dihydroxy-4a,8-dimethyl-7-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-dodecahydroazuleno[6,5-b]furan-5-yl 2-methylbut-2-enoate

Traditional Name

4,9-dihydroxy-4a,8-dimethyl-7-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3aH-azuleno[6,5-b]furan-5-yl 2-methylbut-2-enoate

CAS Registry Number

Not Available

SMILES

CC=C(C)C(=O)OC1CC(OC(=O)C(C)=CC)C2(C)C1C(C)C(O)C1OC(=O)C(=C)C1C2O

InChI Identifier

InChI=1S/C25H34O8/c1-8-11(3)22(28)31-15-10-16(32-23(29)12(4)9-2)25(7)18(15)14(6)19(26)20-17(21(25)27)13(5)24(30)33-20/h8-9,14-21,26-27H,5,10H2,1-4,6-7H3

InChI Key

LUAMQGUHLJTZLC-UHFFFAOYSA-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 sesquiterpene lactones. These are sesquiterpenoids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Sesquiterpene lactones

Alternative Parents

Substituents

Helenalin-skeleton
Ambrosanolide
Pseudoguaiane sesquiterpenoid
Sesquiterpenoid
Tricarboxylic acid or derivatives
Fatty acid ester
Gamma butyrolactone
Fatty acyl
Cyclic alcohol
Alpha,beta-unsaturated carboxylic ester
Tetrahydrofuran
Enoate ester
Secondary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Alcohol
Organic oxygen compound
Carbonyl group
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	2.6	ALOGPS
logP	3.33	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	13.73	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	119.36 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	119.85 m³·mol⁻¹	ChemAxon
Polarizability	48.66 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4,9-dihydroxy-4a,8-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate (NP0224078)

MOL for NP0224078 (4,9-dihydroxy-4a,8-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate)

3D MOL for NP0224078 (4,9-dihydroxy-4a,8-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate)

3D SDF for NP0224078 (4,9-dihydroxy-4a,8-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate)

3D-SDF for NP0224078 (4,9-dihydroxy-4a,8-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate)

PDB for NP0224078 (4,9-dihydroxy-4a,8-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate)

3D PDB for NP0224078 (4,9-dihydroxy-4a,8-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate)

SMILES for NP0224078 (4,9-dihydroxy-4a,8-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate)

INCHI for NP0224078 (4,9-dihydroxy-4a,8-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate)

Structure for NP0224078 (4,9-dihydroxy-4a,8-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate)

3D Structure for NP0224078 (4,9-dihydroxy-4a,8-dimethyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate)