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1,5-Dimethyl-11-methylene-8-(1-methylethyl)-,1,6-tetradecen-3,5,12-triol- [3R,5S,8S,12S]-
SpectraBase Compound ID AIhScjd2rg
InChI InChI=1S/C20H34O3/c1-14(2)17-8-7-16(4)19(22)9-6-15(3)12-18(21)13-20(5,23)11-10-17/h10-12,14,17-19,21-23H,4,6-9,13H2,1-3,5H3/b11-10+,15-12+/t17-,18+,19+,20-/m1/s1
InChIKey UGJGMIHFKBLYRL-KPMUHUKBSA-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 LBtowbo06Zq
Name 1,5-Dimethyl-11-methylene-8-(1-methylethyl)-,1,6-tetradecen-3,5,12-triol- [3R,5S,8S,12S]-
Alternate Name(s) (1S,2E,4S,6R,7E,11S)-2,7,12(20)-Cembratriene-4,6,11-triol
CAS Registry Number 57688-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-14(2)17-8-7-16(4)19(22)9-6-15(3)12-18(21)13-20(5,23)11-10-17/h10-12,14,17-19,21-23H,4,6-9,13H2,1-3,5H3/b11-10+,15-12+/t17-,18+,19+,20-/m1/s1
InChIKey UGJGMIHFKBLYRL-KPMUHUKBSA-N
Molecular Weight 322.489 g/mol
SMILES O[C@@]1(C[C@@](\C=C\[C@@](CCC([C@](CC\C(=C\1)C)(O)[H])=C)(C(C)C)[H])(O)C)[H]
SPLASH splash10-0006-9400000000-c398ff2899ae46796075
Source of Spectrum SB-36-151-0
Wiley ID 1306873