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(-)-(1-R,2-S,7-R,8-R,3-E,11-E)-8-CHLORO-2,18-DIACETOXYCEMBRA-3,11,15-(17)-TRIEN-7-OL
SpectraBase Compound ID Jik7o4Nob4T
InChI InChI=1S/C24H37ClO5/c1-16(2)21-11-9-17(3)8-7-13-24(6,25)23(28)12-10-20(15-29-18(4)26)14-22(21)30-19(5)27/h8,14,21-23,28H,1,7,9-13,15H2,2-6H3/b17-8+,20-14+/t21-,22+,23-,24-/m1/s1
InChIKey UAHZWYSHSHABFU-DXWMHCCVSA-N
Mol Weight 441.0 g/mol
Molecular Formula C24H37ClO5
Exact Mass 440.232952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOlZLrQipN3
Name (1R,2S,7R, 8R, 3E, 11E)-8-Chloro-2,18-diacetoxy-cembra-3,11,15(17)-trien-7-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H37ClO5
InChI InChI=1S/C24H37ClO5/c1-16(2)21-11-9-17(3)8-7-13-24(6,25)23(28)12-10-20(15-29-18(4)26)14-22(21)30-19(5)27/h8,14,21-23,28H,1,7,9-13,15H2,2-6H3/b17-8+,20-14+/t21-,22+,23-,24-/m1/s1
InChIKey UAHZWYSHSHABFU-DXWMHCCVSA-N
Molecular Weight 441.008 g/mol
SMILES O[C@]1([C@@](Cl)(C)CC\C=C\(CC[C@@]([C@](\C=C\(COC(=O)C)CC1)(OC(=O)C)[H])(C(=C)C)[H])C)[H]
SPLASH splash10-0api-9410000000-4aa6a899116553cfda0c
Source of Spectrum G4-72-1601-10
Synonyms Acetic acid [(1E,3S,4R,7E,11R,12R)-3-acetyloxy-11-chloro-12-hydroxy-7,11-dimethyl-4-(1-methylethenyl)-1-cyclotetradeca-1,7-dienyl]methyl ester [(1E,3S,4R,7E,11R,12R)-3-acetyloxy-11-chloro-12-hydroxy-7,11-dimethyl-4-prop-1-en-2-ylcyclotetradeca-1,7-dien-1-yl]methyl acetate [(1E,3S,4R,7E,11R,12R)-3-acetoxy-11-chloro-12-hydroxy-4-isopropenyl-7,11-dimethyl-cyclotetradeca-1,7-dien-1-yl]methyl acetate [(1E,3S,4R,7E,11R,12R)-3-acetyloxy-11-chloranyl-7,11-dimethyl-12-oxidanyl-4-prop-1-en-2-yl-cyclotetradeca-1,7-dien-1-yl]methyl ethanoate
Wiley ID 1702177