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.alpha.-Ethyl-4-(acetyloxy)-2,3a,4,7,8,9,11a-.beta.hydro-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-9-yl ester of (3aS-(3aR*,4S*,E,9R*(S*),10Z,11aR*))-benzeneacetic acid
SpectraBase Compound ID 6Lau4HHhMS3
InChI InChI=1S/C27H32O6/c1-6-21(20-10-8-7-9-11-20)27(30)32-22-13-12-16(2)14-23(31-19(5)28)25-18(4)26(29)33-24(25)15-17(22)3/h7-11,14-15,21-25H,4,6,12-13H2,1-3,5H3/b16-14+,17-15-
InChIKey RQAFZAXEEYKYFQ-GGTPAPDOSA-N
Mol Weight 452.5 g/mol
Molecular Formula C27H32O6
Exact Mass 452.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6W0Pl8P3Hw
Name .alpha.-Ethyl-4-(acetyloxy)-2,3a,4,7,8,9,11a-.beta.hydro-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-9-yl ester of (3aS-(3aR*,4S*,E,9R*(S*),10Z,11aR*))-benzeneacetic acid
CAS Registry Number 72796-32-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O6
InChI InChI=1S/C27H32O6/c1-6-21(20-10-8-7-9-11-20)27(30)32-22-13-12-16(2)14-23(31-19(5)28)25-18(4)26(29)33-24(25)15-17(22)3/h7-11,14-15,21-25H,4,6,12-13H2,1-3,5H3/b16-14+,17-15-
InChIKey RQAFZAXEEYKYFQ-GGTPAPDOSA-N
Molecular Weight 452.547 g/mol
SMILES C1(C(C2C(\C=C\(CCC(OC(C(c3ccccc3)CC)=O)\C(=C/C2O1)C)C)OC(=O)C)=C)=O
SPLASH splash10-00kf-9631000000-665b8b50cd89044dbc10
Source of Spectrum J-45-1445-0
Synonyms 4-(acetyloxy)-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,7,8,9,11a-octahydrocyclodeca[b]furan-9-yl 2-phenylbutanoate
Wiley ID 1388311