NP-MRD: Showing NP-Card for (1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate (NP0221052)

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Record Information

Version

2.0

Created at

2022-09-05 22:31:52 UTC

Updated at

2022-09-05 22:31:52 UTC

NP-MRD ID

NP0221052

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate

Description

95342-43-1 Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate is found in Ferula tingitana. Based on a literature review very few articles have been published on 95342-43-1.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062200312D          

 31 32  0  0  1  0            999 V2000
    4.9833    3.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1950    3.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5902    2.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8019    3.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7738    2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621    1.8437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    1.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3526    0.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5149   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3526   -1.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690   -1.9367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7738   -2.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621   -2.2547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5902   -3.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8019   -3.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1950   -3.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9833   -3.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7076   -0.6180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5603   -1.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7076    0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230    0.4619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2585    1.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    0.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4940    0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230   -0.8729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6680   -1.6576    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
  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
 10 12  2  0  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  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  1  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  1  6  0  0  0
M  END


  Mrv1652309062200312D          

 31 32  0  0  1  0            999 V2000
    4.9833    3.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1950    3.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5902    2.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8019    3.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7738    2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621    1.8437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    1.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3526    0.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5149   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3526   -1.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690   -1.9367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7738   -2.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621   -2.2547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5902   -3.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8019   -3.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1950   -3.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9833   -3.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7076   -0.6180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5603   -1.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7076    0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230    0.4619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2585    1.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    0.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4940    0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230   -0.8729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6680   -1.6576    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
  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
 10 12  2  0  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  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  1  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0221052

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C(\C)C(=O)OC1CC(C)=CC(OC(=O)C(\C)=C/C)[C@@]2(C)[C@H](O)C[C@@](O)(C(C)C)C12

> <INCHI_IDENTIFIER>
InChI=1S/C25H38O6/c1-9-16(6)22(27)30-18-11-15(5)12-20(31-23(28)17(7)10-2)24(8)19(26)13-25(29,14(3)4)21(18)24/h9-10,12,14,18-21,26,29H,11,13H2,1-8H3/b16-9-,17-10-/t18?,19-,20?,21?,24-,25-/m1/s1

> <INCHI_KEY>
AINRTNFDFBTYDD-AEPNLQRKSA-N

> <FORMULA>
C25H38O6

> <MOLECULAR_WEIGHT>
434.573

> <EXACT_MASS>
434.266838944

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
48.4524631217633

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,3R,3aR)-1,3-dihydroxy-3a,6-dimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulen-4-yl (2Z)-2-methylbut-2-enoate

> <JCHEM_LOGP>
4.409859427

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.78196375497182

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.010291831392596

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0135387607477897

> <JCHEM_POLAR_SURFACE_AREA>
93.06

> <JCHEM_REFRACTIVITY>
121.2667

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3R,3aR)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2Z)-2-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       9.302   5.990   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.831   6.444   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.702   5.397   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.230   5.851   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.044   3.895   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       8.516   3.442   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       5.916   2.848   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       6.258   1.347   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.760   1.004   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.428  -0.384   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.968  -0.384   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.760  -1.771   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.258  -2.114   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       5.916  -3.615   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       7.044  -4.663   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.516  -4.209   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.702  -6.164   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.230  -6.618   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.831  -7.211   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.302  -6.758   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.054  -1.154   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.779  -2.669   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.054   0.386   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.590   0.862   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.216   2.269   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       2.256   1.632   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.922   0.862   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.256   3.172   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.684  -0.384   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.590  -1.629   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       3.114  -3.094   0.000  0.00  0.00           O+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   23                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19                                                            
CONECT   21   13   22   23   30                                             
CONECT   22   21                                                            
CONECT   23   21    8   24                                                  
CONECT   24   23   25   26   29                                             
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   24   30                                                       
CONECT   30   29   21   31                                                  
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   64    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₃₈O₆

Average Mass

434.5730 Da

Monoisotopic Mass

434.26684 Da

IUPAC Name

(1R,3R,3aR)-1,3-dihydroxy-3a,6-dimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulen-4-yl (2Z)-2-methylbut-2-enoate

Traditional Name

(1R,3R,3aR)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2Z)-2-methylbut-2-enoate

CAS Registry Number

Not Available

SMILES

C\C=C(\C)C(=O)OC1CC(C)=CC(OC(=O)C(\C)=C/C)[C@@]2(C)[C@H](O)C[C@@](O)(C(C)C)C12

InChI Identifier

InChI=1S/C25H38O6/c1-9-16(6)22(27)30-18-11-15(5)12-20(31-23(28)17(7)10-2)24(8)19(26)13-25(29,14(3)4)21(18)24/h9-10,12,14,18-21,26,29H,11,13H2,1-8H3/b16-9-,17-10-/t18?,19-,20?,21?,24-,25-/m1/s1

InChI Key

AINRTNFDFBTYDD-AEPNLQRKSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Ferula tingitana	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

Daucane sesquiterpenoid
Sesquiterpenoid
Fatty acid ester
Dicarboxylic acid or derivatives
Fatty acyl
Cyclic alcohol
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tertiary alcohol
Carboxylic acid ester
Secondary alcohol
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
Organooxygen compound
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic 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
logP	4.41	ChemAxon
pKa (Strongest Acidic)	14.01	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	93.06 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	121.27 m³·mol⁻¹	ChemAxon
Polarizability	48.45 Å³	ChemAxon
Number of Rings	2	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

32777824

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

54612525

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate (NP0221052)

MOL for NP0221052 ((1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate)

3D MOL for NP0221052 ((1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate)

3D SDF for NP0221052 ((1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate)

3D-SDF for NP0221052 ((1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate)

PDB for NP0221052 ((1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate)

3D PDB for NP0221052 ((1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate)

SMILES for NP0221052 ((1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate)

INCHI for NP0221052 ((1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate)

Structure for NP0221052 ((1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate)

3D Structure for NP0221052 ((1r,3r,3ar)-1,3-dihydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl (2z)-2-methylbut-2-enoate)