NP-MRD: Showing NP-Card for (6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione (NP0329306)

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Record Information

Version

2.0

Created at

2022-09-12 13:34:43 UTC

Updated at

2022-09-12 13:34:44 UTC

NP-MRD ID

NP0329306

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione

Description

Hypercalin B belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. (6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione is found in Hypericum ascyron and Hypericum calycinum. (6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione was first documented in 2012 (PMID: 22079533). Based on a literature review a small amount of articles have been published on Hypercalin B (PMID: 30578929) (PMID: 30080367).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122215342D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309122215342D          

 38 40  0  0  1  0            999 V2000
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    1.3275   -0.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836   -1.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -1.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1634   -0.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2782    0.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0431    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6281    0.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1081   -1.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5453   -2.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3698   -2.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070   -3.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7571   -1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552   -2.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2398   -2.9000    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
  4  2  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  1  0  0  0
  7 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 26 37  1  0  0  0  0
 12 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0329306

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC1(CC=C(C)C)C(=O)C(C[C@@H]2[C@H](CC[C@]2(C)O)C(C)=C)=C(O)\C(=C(/O)C2=CC=CC=C2)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C33H42O5/c1-20(2)13-17-33(18-14-21(3)4)30(36)25(19-26-24(22(5)6)15-16-32(26,7)38)29(35)27(31(33)37)28(34)23-11-9-8-10-12-23/h8-14,24,26,34-35,38H,5,15-19H2,1-4,6-7H3/b28-27+/t24-,26-,32+/m1/s1

> <INCHI_KEY>
XMVYTWVWYJLUHK-LHHMKPCHSA-N

> <FORMULA>
C33H42O5

> <MOLECULAR_WEIGHT>
518.694

> <EXACT_MASS>
518.303224452

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
57.71452553773041

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6E)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1R,2S,5S)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione

> <JCHEM_LOGP>
6.617970273

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.8878432261607925

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.209966389151083

> <JCHEM_PKA_STRONGEST_BASIC>
-0.6701821891624716

> <JCHEM_POLAR_SURFACE_AREA>
94.82999999999998

> <JCHEM_REFRACTIVITY>
156.65750000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(6E)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1R,2S,5S)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione

> <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       5.420 -12.068   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.794 -10.661   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.262 -10.500   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.699  -9.415   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.239  -9.415   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.715  -7.950   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.469  -7.045   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.500  -5.901   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.439  -5.901   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       5.223  -7.950   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.759  -7.474   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.439  -5.968   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.974  -5.492   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       0.829  -6.523   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.654  -3.986   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.189  -3.510   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -0.955  -4.540   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.131  -2.003   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.596  -1.528   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.916  -0.021   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.771   1.009   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.693   0.533   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.013  -0.973   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.798  -2.955   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.478  -1.449   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       4.263  -3.431   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.477  -1.906   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.905  -1.329   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.119   0.196   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.547   0.773   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.906   1.144   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.802  -3.377   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.618  -4.683   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.157  -4.630   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.973  -5.936   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.880  -3.270   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.583  -4.937   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       6.048  -5.413   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7    4   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   37                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   24                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   18                                                       
CONECT   24   15   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   32   37                                             
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   26   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   26   12   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₄₂O₅

Average Mass

518.6940 Da

Monoisotopic Mass

518.30322 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)=CCC1(CC=C(C)C)C(=O)C(C[C@@H]2[C@H](CC[C@]2(C)O)C(C)=C)=C(O)\C(=C(/O)C2=CC=CC=C2)C1=O

InChI Identifier

InChI=1S/C33H42O5/c1-20(2)13-17-33(18-14-21(3)4)30(36)25(19-26-24(22(5)6)15-16-32(26,7)38)29(35)27(31(33)37)28(34)23-11-9-8-10-12-23/h8-14,24,26,34-35,38H,5,15-19H2,1-4,6-7H3/b28-27+/t24-,26-,32+/m1/s1

InChI Key

XMVYTWVWYJLUHK-LHHMKPCHSA-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
Hypericum ascyron	LOTUS Database	35616633
Hypericum calycinum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Aromatic monoterpenoids

Alternative Parents

Substituents

Aromatic monoterpenoid
Monocyclic monoterpenoid
M-benzoquinone
Quinone
Cyclohexenone
Monocyclic benzene moiety
Cyclopentanol
Benzenoid
Vinylogous acid
Cyclic alcohol
Tertiary alcohol
Ketone
Cyclic ketone
Enol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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

C00002997

Chemspider ID

4444886

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5281562

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Osman K, Evangelopoulos D, Basavannacharya C, Gupta A, McHugh TD, Bhakta S, Gibbons S: An antibacterial from Hypericum acmosepalum inhibits ATP-dependent MurE ligase from Mycobacterium tuberculosis. Int J Antimicrob Agents. 2012 Feb;39(2):124-9. doi: 10.1016/j.ijantimicag.2011.09.018. Epub 2011 Nov 10. [PubMed:22079533 ]
Li YR, Xu WJ, Wei SS, Lu WJ, Luo J, Kong LY: Hyperbeanols F-Q, diverse monoterpenoid polyprenylated acylphloroglucinols from the flowers of Hypericum beanii. Phytochemistry. 2019 Mar;159:56-64. doi: 10.1016/j.phytochem.2018.12.005. Epub 2018 Dec 20. [PubMed:30578929 ]
Xu FH, Ding YX, Wang Q: [Chemical Constituents of Ethyl Acetate Fraction from Hypericum ascyron]. Zhong Yao Cai. 2016 Feb;39(2):322-5. [PubMed:30080367 ]
LOTUS database [Link]

Showing NP-Card for (6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione (NP0329306)

MOL for NP0329306 ((6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione)

3D MOL for NP0329306 ((6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione)

3D SDF for NP0329306 ((6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione)

3D-SDF for NP0329306 ((6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione)

PDB for NP0329306 ((6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione)

3D PDB for NP0329306 ((6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione)

SMILES for NP0329306 ((6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione)

INCHI for NP0329306 ((6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione)

Structure for NP0329306 ((6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione)

3D Structure for NP0329306 ((6e)-5-hydroxy-6-[hydroxy(phenyl)methylidene]-4-{[(1r,2s,5s)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2,2-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione)