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(4S,12S)-2,6,10-Cembatriene-4,8,12-triol
SpectraBase Compound ID 3IHcrf2N4rN
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+/m0/s1
InChIKey JRLGIEYFVATYIV-AVPCNPSKSA-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 FSRjudU401N
Name (4S,12S)-2,6,10-Cembatriene-4,8,12-triol
Alternate Name(s) (1S,9S)-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+/m0/s1
InChIKey JRLGIEYFVATYIV-AVPCNPSKSA-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 splash10-0006-9200000000-08bc56ece7e5e7c6551e
Source of Spectrum SB-45-96-2
Wiley ID 744922