NP-MRD: Showing NP-Card for 5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate (NP0198210)

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Record Information

Version

2.0

Created at

2022-09-04 16:37:18 UTC

Updated at

2022-09-04 16:37:18 UTC

NP-MRD ID

NP0198210

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate

Description

5-(3-Bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. 5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate is found in Laurencia intricata. 5-(3-Bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 44  0  0  0  0  0  0  0  0999 V2000
    4.7627   -2.2832    2.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2646   -1.2677    1.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1025   -0.8184    0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7668    0.4499    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6079    0.9571   -0.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497    1.5581    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4217    1.1410    0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1382    0.0234   -0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3385    0.4677   -1.1212 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7895   -0.6441   -1.7917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8331   -1.2018   -1.0771 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4270   -2.2540   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0902   -3.4055   -0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -4.5519   -1.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4964   -5.5728   -1.5992 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4970   -0.1015   -0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418    0.9692   -0.2559 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9438    2.2257   -0.6623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9717    3.3210    0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5161    4.6055   -0.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5266    3.1480    1.3477 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2887   -2.1135    3.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554   -2.2168    2.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0561   -3.2910    1.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0589   -1.6774    0.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6893   -0.4041    1.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -1.5051   -0.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2987    1.2036    0.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2576    0.1708   -1.2362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0065    1.7703   -1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9884    2.4074    0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2107    1.6768    1.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6130   -0.6704    0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128   -0.5594   -0.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9692    1.2124   -1.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5865   -1.5249   -1.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3531   -2.2700    0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -4.7190   -1.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4476    0.2469   -0.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7559   -0.4637    0.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1096    1.0728    0.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2861    4.4793   -1.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6825    5.2847   -0.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9790    5.1247    0.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 11 12  1  0
 12 13  2  0
 13 14  2  0
 14 15  1  0
 17  9  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  0
  7 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  6
 11 36  1  6
 16 39  1  0
 16 40  1  0
 17 41  1  1
 20 42  1  0
 20 43  1  0
 20 44  1  0
 12 37  1  0
 14 38  1  0
M  END


  Mrv1533004161514362D          

 21 21  0  0  0  0            999 V2000
    0.5678    6.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    5.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    4.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    4.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4974    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3259   -0.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2820    0.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1296   -1.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7941   -2.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790   -2.9975    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  4  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  4  0  0  0
  6  7  2  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  1  0  0  0  0
  9 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
 11 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0198210

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC=CCC=CCC1OC(CC1OC(C)=O)C=C=CBr

> <INCHI_IDENTIFIER>
InChI=1S/C17H23BrO3/c1-3-4-5-6-7-8-11-16-17(20-14(2)19)13-15(21-16)10-9-12-18/h4-5,7-8,10,12,15-17H,3,6,11,13H2,1-2H3

> <INCHI_KEY>
ADPYLPCYOQTHGO-UHFFFAOYSA-N

> <FORMULA>
C17H23BrO3

> <MOLECULAR_WEIGHT>
355.272

> <EXACT_MASS>
354.083058

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
34.88410698410836

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate

> <ALOGPS_LOGP>
5.09

> <JCHEM_LOGP>
4.216285161999999

> <ALOGPS_LOGS>
-4.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.218519182316718

> <JCHEM_POLAR_SURFACE_AREA>
35.53

> <JCHEM_REFRACTIVITY>
90.53910000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.45e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0       1.060  11.320   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.274  10.550   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.274   9.010   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.608   8.240   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.608   6.700   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.274   5.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.274   4.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.060   3.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.306   1.175   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.186   1.175   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.651   1.651   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.795   0.620   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -2.475  -0.886   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -4.260   1.096   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.735  -1.536   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.109  -2.943   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.482  -4.349   0.000  0.00  0.00           C+0
HETATM   21 Br   UNK     0       2.387  -5.595   0.000  0.00  0.00          Br+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   13                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   18                                                  
CONECT   12   11   13                                                       
CONECT   13   12    9   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   11   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   42    0
END

View in JSmol

Synonyms

Value	Source
5-(3-Bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetic acid	Generator

Chemical Formula

C₁₇H₂₃BrO₃

Average Mass

355.2720 Da

Monoisotopic Mass

354.08306 Da

IUPAC Name

5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate

Traditional Name

5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate

CAS Registry Number

Not Available

SMILES

CCC=CCC=CCC1OC(CC1OC(C)=O)C=C=CBr

InChI Identifier

InChI=1S/C17H23BrO3/c1-3-4-5-6-7-8-11-16-17(20-14(2)19)13-15(21-16)10-9-12-18/h4-5,7-8,10,12,15-17H,3,6,11,13H2,1-2H3

InChI Key

ADPYLPCYOQTHGO-UHFFFAOYSA-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
Laurencia intricata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

C-glycosyl compounds

Alternative Parents

Substituents

C-glycosyl compound
Tetrahydrofuran
Carboxylic acid ester
Carboxylic acid derivative
Dialkyl ether
Ether
Monocarboxylic acid or derivatives
Oxacycle
Vinyl bromide
Organoheterocyclic compound
Vinyl halide
Organohalogen compound
Organobromide
Hydrocarbon derivative
Organic oxide
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	5.09	ALOGPS
logP	4.22	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	35.53 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	90.54 m³·mol⁻¹	ChemAxon
Polarizability	34.88 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	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

73815928

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate (NP0198210)

MOL for NP0198210 (5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate)

3D MOL for NP0198210 (5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate)

3D SDF for NP0198210 (5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate)

3D-SDF for NP0198210 (5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate)

PDB for NP0198210 (5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate)

3D PDB for NP0198210 (5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate)

SMILES for NP0198210 (5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate)

INCHI for NP0198210 (5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate)

Structure for NP0198210 (5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate)

3D Structure for NP0198210 (5-(3-bromopropa-1,2-dien-1-yl)-2-(octa-2,5-dien-1-yl)oxolan-3-yl acetate)