NP-MRD: Showing NP-Card for (2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate (NP0274180)

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Record Information

Version

2.0

Created at

2022-09-08 21:28:24 UTC

Updated at

2022-09-08 21:28:24 UTC

NP-MRD ID

NP0274180

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate

Description

(2R)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxo-2H-pyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. (2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate is found in Helichrysum cephaloideum. Based on a literature review very few articles have been published on (2R)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxo-2H-pyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082223282D          

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M  END

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  Mrv1652309082223282D          

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    2.7845   -2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734   -2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    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  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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 22  1  0  0  0  0
 22 23  2  0  0  0  0
  8 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 29 35  2  0  0  0  0
  6 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
  7 40  1  0  0  0  0
  4 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0274180

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC1=C(C)C(OC(C)=O)=C(CC2=C(OC(C)=O)C(C(=O)C(C)C)=C(OC(C)=O)C3=C2O[C@H](C3)C(C)=C)C(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C30H34O10/c1-10-22-15(6)26(36-16(7)31)21(30(35)40-22)11-19-27-20(12-23(39-27)13(2)3)29(38-18(9)33)24(25(34)14(4)5)28(19)37-17(8)32/h14,23H,2,10-12H2,1,3-9H3/t23-/m1/s1

> <INCHI_KEY>
DWXBPXYAKIQHPN-HSZRJFAPSA-N

> <FORMULA>
C30H34O10

> <MOLECULAR_WEIGHT>
554.592

> <EXACT_MASS>
554.215197295

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
57.77189461471943

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxo-2H-pyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate

> <JCHEM_LOGP>
4.132001737666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.104718210932653

> <JCHEM_PKA_STRONGEST_BASIC>
-4.915434589068291

> <JCHEM_POLAR_SURFACE_AREA>
131.5

> <JCHEM_REFRACTIVITY>
145.5742

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      -3.483  -2.637   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.713  -1.303   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.483   0.031   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.268  -2.549   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.530   0.237   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.530   1.777   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.197   2.547   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.197   4.087   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.530   4.857   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.530   6.397   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.197   7.167   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       3.864   7.167   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -0.137   4.857   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.137   6.397   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.471   4.087   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.804   4.857   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.138   4.087   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -1.471   2.547   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -0.137   1.777   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -1.042   0.531   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       3.864  -0.533   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.198   0.237   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.198   1.777   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.864   2.547   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       6.531   2.547   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.198  -2.843   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       5.198  -4.383   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       6.531  -2.073   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.531  -0.533   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.865  -2.843   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.530  -2.843   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       2.530  -4.383   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       1.197  -5.153   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.197  -6.693   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -0.137  -4.383   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -0.268  -0.057   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   40                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   35                                                  
CONECT    7    6    8   40                                                  
CONECT    8    7    9   24                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   22                                                  
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   11   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   18   22                                                       
CONECT   22   21   10   23                                                  
CONECT   23   22                                                            
CONECT   24    8   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   24   30   35                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   29    6   36                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40    7    4                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   84    0
END

View in JSmol

Synonyms

Value	Source
(2R)-4-(Acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxo-2H-pyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetic acid	Generator

Chemical Formula

C₃₀H₃₄O₁₀

Average Mass

554.5920 Da

Monoisotopic Mass

554.21520 Da

IUPAC Name

(2R)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxo-2H-pyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate

Traditional Name

(2R)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate

CAS Registry Number

Not Available

SMILES

CCC1=C(C)C(OC(C)=O)=C(CC2=C(OC(C)=O)C(C(=O)C(C)C)=C(OC(C)=O)C3=C2O[C@H](C3)C(C)=C)C(=O)O1

InChI Identifier

InChI=1S/C30H34O10/c1-10-22-15(6)26(36-16(7)31)21(30(35)40-22)11-19-27-20(12-23(39-27)13(2)3)29(38-18(9)33)24(25(34)14(4)5)28(19)37-17(8)32/h14,23H,2,10-12H2,1,3-9H3/t23-/m1/s1

InChI Key

DWXBPXYAKIQHPN-HSZRJFAPSA-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
Helichrysum cephaloideum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Coumaran
Tricarboxylic acid or derivatives
Aryl alkyl ketone
Aryl ketone
Alkyl aryl ether
Pyranone
Pyran
Benzenoid
Heteroaromatic compound
Carboxylic acid ester
Ketone
Lactone
Ether
Oxacycle
Organoheterocyclic compound
Organic oxide
Organooxygen compound
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
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
logP	4.13	ChemAxon
pKa (Strongest Acidic)	16.1	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	131.5 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	145.57 m³·mol⁻¹	ChemAxon
Polarizability	57.77 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

162889707

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate (NP0274180)

MOL for NP0274180 ((2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate)

3D MOL for NP0274180 ((2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate)

3D SDF for NP0274180 ((2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate)

3D-SDF for NP0274180 ((2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate)

PDB for NP0274180 ((2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate)

3D PDB for NP0274180 ((2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate)

SMILES for NP0274180 ((2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate)

INCHI for NP0274180 ((2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate)

Structure for NP0274180 ((2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate)

3D Structure for NP0274180 ((2r)-4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate)