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4,13-Cyclotetradecadiene-1,3,8-triol, 1,5-dimethyl-9-methylene-12-(1-methylethyl)-, 3,8-diacetate, [1S-(1R*,3S*,4E,8R*,12R*,13E)]-
SpectraBase Compound ID 7kmeLGc4kr9
InChI InChI=1S/C24H38O5/c1-16(2)21-10-9-18(4)23(29-20(6)26)11-8-17(3)14-22(28-19(5)25)15-24(7,27)13-12-21/h12-14,16,21-23,27H,4,8-11,15H2,1-3,5-7H3/b13-12+,17-14+/t21-,22+,23+,24-/m1/s1
InChIKey BNPRYXSVGOFFFJ-KKFYADAUSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VlKuLtZuRq
Name 4,13-Cyclotetradecadiene-1,3,8-triol, 1,5-dimethyl-9-methylene-12-(1-methylethyl)-, 3,8-diacetate, [1S-(1R*,3S*,4E,8R*,12R*,13E)]-
CAS Registry Number 82003-48-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-16(2)21-10-9-18(4)23(29-20(6)26)11-8-17(3)14-22(28-19(5)25)15-24(7,27)13-12-21/h12-14,16,21-23,27H,4,8-11,15H2,1-3,5-7H3/b13-12+,17-14+/t21-,22+,23+,24-/m1/s1
InChIKey BNPRYXSVGOFFFJ-KKFYADAUSA-N
Molecular Weight 406.563 g/mol
SMILES O[C@@]1(\C=C\[C@@](CCC([C@@](OC(=O)C)(CC\C(=C\[C@](OC(=O)C)(C1)[H])C)[H])=C)(C(C)C)[H])C
SPLASH splash10-0006-9510000000-80fdbd84bfee22f55eef
Source of Spectrum SB-36-152-0
Synonyms (1R,6S,10S,13S)-6-(acetyloxy)-13-hydroxy-10-isopropyl-3,13-dimethyl-7-methylene-2,11-cyclotetradecadien-1-yl acetate (1S,2E,4S,6R,7E,11S)-6,11-diacetoxy-2,7,12(20)-cembratrien-4-ol
Wiley ID 1372272