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(4R,12S)-2,6,10-Cembatriene-4,8,12-triol
SpectraBase Compound ID E7piGBgw3za
InChI InChI=1S/C20H34O3/c1-16(2)17-8-14-19(4,22)12-6-10-18(3,21)11-7-13-20(5,23)15-9-17/h6-8,10,13-14,16-17,21-23H,9,11-12,15H2,1-5H3/b10-6-,13-7+,14-8+/t17?,18?,19-,20-/m1/s1
InChIKey JRLGIEYFVATYIV-CIACCGPVSA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RWLfnuQ3wL
Name (4R,12S)-2,6,10-Cembatriene-4,8,12-triol
Alternate Name(s) (1S,9R)-12-isopropyl-1,5,9-trimethyl-2,6,10-cyclotetradecatriene-1,5,9-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-16(2)17-8-14-19(4,22)12-6-10-18(3,21)11-7-13-20(5,23)15-9-17/h6-8,10,13-14,16-17,21-23H,9,11-12,15H2,1-5H3/b10-6-,13-7+,14-8+/t17?,18?,19-,20-/m1/s1
InChIKey JRLGIEYFVATYIV-CIACCGPVSA-N
Molecular Weight 322.489 g/mol
SMILES O[C@]1(\C=C\C(CC[C@@](\C=C\CC(\C=C/C1)(O)C)(O)C)C(C)C)C
SPLASH splash10-0006-9300000000-f827aef42076ebab739d
Source of Spectrum SB-45-96-4
Wiley ID 744920