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(1S,2E,4S,6R,7E,11E,13R)-2,7,11-Cembratriene-4,6,13-triol
SpectraBase Compound ID AC1X0ZmuXJ4
InChI InChI=1S/C20H34O3/c1-14(2)17-9-10-20(5,23)13-18(21)11-15(3)7-6-8-16(4)19(22)12-17/h8-11,14,17-19,21-23H,6-7,12-13H2,1-5H3/b10-9+,15-11+,16-8+/t17-,18-,19+,20+/m0/s1
InChIKey WDCMCDJDSRVSJN-DUYONSMISA-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 E9wQto4zHMa
Name (1S,2E,4S,6R,7E,11E,13R)-2,7,11-Cembratriene-4,6,13-triol
Alternate Name(s) (1R,3S,6S,8R)-6-isopropyl-3,9,13-trimethyl-4,9,13-cyclotetradecatriene-1,3,8-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-14(2)17-9-10-20(5,23)13-18(21)11-15(3)7-6-8-16(4)19(22)12-17/h8-11,14,17-19,21-23H,6-7,12-13H2,1-5H3/b10-9+,15-11+,16-8+/t17-,18-,19+,20+/m0/s1
InChIKey WDCMCDJDSRVSJN-DUYONSMISA-N
Molecular Weight 322.489 g/mol
SMILES O[C@]1(C[C@](\C=C\(CC\C=C\([C@@](C[C@](\C=C\1)(C(C)C)[H])(O)[H])C)C)(O)[H])C
SPLASH splash10-052f-9200000000-fd1a5b33a317c01ba712
Source of Spectrum SB-47-87-18
Wiley ID 1322050