NP-MRD: Showing NP-Card for (1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate (NP0240190)

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Record Information

Version

2.0

Created at

2022-09-06 23:56:19 UTC

Updated at

2022-09-06 23:56:19 UTC

NP-MRD ID

NP0240190

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

Description

CHEMBL1076617 belongs to the class of organic compounds known as agarofurans. These are organic compounds containing an agarofuran moiety( a three-ring system, with core fragment oxatricyclo[7.2.1.0^{1,6}]Dodec-2-ene). Based on a literature review very few articles have been published on CHEMBL1076617.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072201562D          

 42 46  0  0  1  0            999 V2000
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M  END

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M  END


  Mrv1652309072201562D          

 42 46  0  0  1  0            999 V2000
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    1.5711   -2.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1508   -2.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3258   -2.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0945   -3.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9195   -3.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241   -2.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9038   -2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0788   -2.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5574   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1508    0.1622    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8101    0.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4154    0.8988    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7079    1.4538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575    1.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557    1.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9588    1.5562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3260    2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0294    2.3782    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
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  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
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 20 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 35 34  1  6  0  0  0
 18 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 33 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 35 40  1  0  0  0  0
  5 40  1  0  0  0  0
 40 41  1  6  0  0  0
 40 42  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0240190

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@H]1[C@@H](O)[C@H](OC(=O)C2=CC=CC=C2)[C@@]2(C)[C@H](C[C@@H]3C[C@]2(OC3(C)C)[C@@]1(C)O)OC(=O)\C=C\C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C33H38O9/c1-20(34)39-28-26(36)27(41-29(37)22-14-10-7-11-15-22)31(4)24(40-25(35)17-16-21-12-8-6-9-13-21)18-23-19-33(31,32(28,5)38)42-30(23,2)3/h6-17,23-24,26-28,36,38H,18-19H2,1-5H3/b17-16+/t23-,24+,26+,27+,28+,31-,32+,33-/m1/s1

> <INCHI_KEY>
RPIUOWOTQONAKE-GVZSNRDBSA-N

> <FORMULA>
C33H38O9

> <MOLECULAR_WEIGHT>
578.658

> <EXACT_MASS>
578.251582804

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
60.68534379620428

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,3S,4S,5R,6R,7S,9R)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2E)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-5-yl benzoate

> <JCHEM_LOGP>
4.471133050333334

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.350825804534658

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.62022042706753

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6531387419588413

> <JCHEM_POLAR_SURFACE_AREA>
128.59000000000003

> <JCHEM_REFRACTIVITY>
152.04030000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,3S,4S,5R,6R,7S,9R)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2E)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-5-yl benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       8.216   6.673   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.324   5.418   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       5.791   5.562   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       7.965   4.018   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       7.074   2.762   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.715   1.354   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       9.249   1.213   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       6.830   0.086   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.481  -1.309   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.016  -1.443   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.899  -0.181   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       9.667  -2.839   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.201  -2.972   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.852  -4.368   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.969  -5.630   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.435  -5.496   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.784  -4.100   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.279   0.223   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.006  -1.135   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.502  -1.201   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.257  -2.543   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       4.473  -3.868   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.228  -5.211   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.933  -3.852   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.148  -5.177   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.608  -5.160   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.176  -6.485   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.716  -6.468   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.472  -5.126   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.687  -3.801   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.147  -3.818   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.907  -1.128   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.148   0.303   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.379   0.935   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.509   1.678   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       3.188   2.714   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       1.787   1.878   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       0.851   3.100   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       0.257   1.709   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.523   2.905   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.342   3.893   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       5.655   4.439   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   40                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   18                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   12                                                       
CONECT   18    8   19   20   35                                             
CONECT   19   18                                                            
CONECT   20   18   21   32                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   26                                                       
CONECT   32   20   33                                                       
CONECT   33   32   34   37                                                  
CONECT   34   33   35                                                       
CONECT   35   34   18   36   40                                             
CONECT   36   35   37                                                       
CONECT   37   36   33   38   39                                             
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   35    5   41   42                                             
CONECT   41   40                                                            
CONECT   42   40                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₃₈O₉

Average Mass

578.6580 Da

Monoisotopic Mass

578.25158 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@H]1[C@@H](O)[C@H](OC(=O)C2=CC=CC=C2)[C@@]2(C)[C@H](C[C@@H]3C[C@]2(OC3(C)C)[C@@]1(C)O)OC(=O)\C=C\C1=CC=CC=C1

InChI Identifier

InChI=1S/C33H38O9/c1-20(34)39-28-26(36)27(41-29(37)22-14-10-7-11-15-22)31(4)24(40-25(35)17-16-21-12-8-6-9-13-21)18-23-19-33(31,32(28,5)38)42-30(23,2)3/h6-17,23-24,26-28,36,38H,18-19H2,1-5H3/b17-16+/t23-,24+,26+,27+,28+,31-,32+,33-/m1/s1

InChI Key

RPIUOWOTQONAKE-GVZSNRDBSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as agarofurans. These are organic compounds containing an agarofuran moiety( a three-ring system, with core fragment oxatricyclo[7.2.1.0^{1,6}]Dodec-2-ene).

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Agarofurans

Alternative Parents

Substituents

Agarofuran
Cinnamic acid or derivatives
Cinnamic acid ester
Benzoate ester
Tricarboxylic acid or derivatives
Benzoic acid or derivatives
Benzoyl
Styrene
Fatty acid ester
Oxepane
Cyclitol or derivatives
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Alpha,beta-unsaturated carboxylic ester
Cyclic alcohol
Enoate ester
Tetrahydrofuran
Tertiary alcohol
Carboxylic acid ester
Secondary alcohol
Dialkyl ether
Organoheterocyclic compound
Ether
Carboxylic acid derivative
Oxacycle
Organic oxygen compound
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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

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

24682525

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

46880538

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate (NP0240190)

MOL for NP0240190 ((1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate)

3D MOL for NP0240190 ((1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate)

3D SDF for NP0240190 ((1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate)

3D-SDF for NP0240190 ((1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate)

PDB for NP0240190 ((1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate)

3D PDB for NP0240190 ((1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate)

SMILES for NP0240190 ((1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate)

INCHI for NP0240190 ((1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate)

Structure for NP0240190 ((1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate)

3D Structure for NP0240190 ((1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate)