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4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, 3-acetate, [1S-(1R*,3S*,4E,7E,9R*,12R*,13E)]-
SpectraBase Compound ID Cg733WAGxGf
InChI InChI=1S/C22H36O4/c1-16(2)19-9-12-21(5,24)11-7-8-17(3)14-20(26-18(4)23)15-22(6,25)13-10-19/h7,10-11,13-14,16,19-20,24-25H,8-9,12,15H2,1-6H3/b11-7-,13-10-,17-14-/t19-,20+,21+,22+/m0/s1
InChIKey IYJOXKTUXNJWLU-GEFZDECVSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpgwsEo44fV
Name 4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, 3-acetate, [1S-(1R*,3S*,4E,7E,9R*,12R*,13E)]-
CAS Registry Number 82003-50-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-16(2)19-9-12-21(5,24)11-7-8-17(3)14-20(26-18(4)23)15-22(6,25)13-10-19/h7,10-11,13-14,16,19-20,24-25H,8-9,12,15H2,1-6H3/b11-7-,13-10-,17-14-/t19-,20+,21+,22+/m0/s1
InChIKey IYJOXKTUXNJWLU-GEFZDECVSA-N
Molecular Weight 364.526 g/mol
SMILES O[C@]1(CC[C@@](\C=C/[C@](C[C@@](\C=C/(C\C=C/1)C)(OC(=O)C)[H])(O)C)(C(C)C)[H])C
SPLASH splash10-052f-9300000000-9563da884abea3af4a51
Source of Spectrum SB-36-153-0
Synonyms (1S,2E,4S,6R,7E,10E,12R)-6-acetoxy-2,7,10-cembratriene-4,12-diol (1S,7S,10R,13S)-7,13-dihydroxy-10-isopropyl-3,7,13-trimethyl-2,5,11-cyclotetradecatrien-1-yl acetate
Wiley ID 1351018