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(-)-(1-R,2-S,7-R,3-E,8-Z,11-E)-2,18-DIACETOXYCEMBRA-3,8,11,15-(17)-TETRAEN-7-OL
SpectraBase Compound ID CeYBEpZgkZu
InChI InChI=1S/C24H36O5/c1-16(2)22-12-10-17(3)8-7-9-18(4)23(27)13-11-21(15-28-19(5)25)14-24(22)29-20(6)26/h8-9,14,22-24,27H,1,7,10-13,15H2,2-6H3/b17-8+,18-9-,21-14+/t22-,23-,24+/m1/s1
InChIKey VEMVDCAUWIBDLU-BSFUQNKWSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bXypLI0U2w
Name (1R,2S,7R, 3E, 8Z, 11E)-2,18-Diacetoxy-cembra-3,8,11,15(17)-tetraen-7-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-16(2)22-12-10-17(3)8-7-9-18(4)23(27)13-11-21(15-28-19(5)25)14-24(22)29-20(6)26/h8-9,14,22-24,27H,1,7,10-13,15H2,2-6H3/b17-8+,18-9-,21-14+/t22-,23-,24+/m1/s1
InChIKey VEMVDCAUWIBDLU-BSFUQNKWSA-N
Molecular Weight 404.547 g/mol
SMILES O[C@]1(\C(C)=C/C\C=C\(CC[C@@]([C@](\C=C\(COC(=O)C)CC1)(OC(=O)C)[H])(C(=C)C)[H])C)[H]
SPLASH splash10-0a4i-9300000000-84d82ea047cb95cc700c
Source of Spectrum G4-72-1601-9
Synonyms Acetic acid [(1E,3S,4R,7E,10Z,12R)-3-acetyloxy-12-hydroxy-7,11-dimethyl-4-(1-methylethenyl)-1-cyclotetradeca-1,7,10-trienyl]methyl ester [(1E,3S,4R,7E,10Z,12R)-3-acetyloxy-12-hydroxy-7,11-dimethyl-4-prop-1-en-2-ylcyclotetradeca-1,7,10-trien-1-yl]methyl acetate [(1E,3S,4R,7E,10Z,12R)-3-acetoxy-12-hydroxy-4-isopropenyl-7,11-dimethyl-cyclotetradeca-1,7,10-trien-1-yl]methyl acetate [(1E,3S,4R,7E,10Z,12R)-3-acetyloxy-7,11-dimethyl-12-oxidanyl-4-prop-1-en-2-yl-cyclotetradeca-1,7,10-trien-1-yl]methyl ethanoate
Wiley ID 1702178