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(3E,7R,8E,10S,13R)-13-(hydroxymethyl)-3,7,13-trimethyl-7-oxidanyl-10-propan-2-yl-cyclotrideca-3,8-dien-1-one
SpectraBase Compound ID De8wEAPpTvh
InChI InChI=1S/C20H34O3/c1-15(2)17-8-11-19(4,14-21)18(22)13-16(3)7-6-10-20(5,23)12-9-17/h7,9,12,15,17,21,23H,6,8,10-11,13-14H2,1-5H3/b12-9+,16-7+/t17-,19-,20-/m1/s1
InChIKey TZEGDDUAKKGTBJ-LVUUBKHZSA-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 QF6BCMMsaz
Name (3E,7R,8E,10S,13R)-13-(hydroxymethyl)-3,7,13-trimethyl-7-oxidanyl-10-propan-2-yl-cyclotrideca-3,8-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-15(2)17-8-11-19(4,14-21)18(22)13-16(3)7-6-10-20(5,23)12-9-17/h7,9,12,15,17,21,23H,6,8,10-11,13-14H2,1-5H3/b12-9+,16-7+/t17-,19-,20-/m1/s1
InChIKey TZEGDDUAKKGTBJ-LVUUBKHZSA-N
Molecular Weight 322.489 g/mol
SMILES O[C@@]1(CC\C=C\(CC([C@@](CO)(CC[C@](\C=C\1)(C(C)C)[H])C)=O)C)C
SPLASH splash10-00di-0903000000-16a14d7a9241c016531c
Source of Spectrum F-51-5295-1
Synonyms (3E,7R,8E,10S,13R)-7-hydroxy-10-isopropyl-3,7,13-trimethyl-13-methylol-cyclotrideca-3,8-dien-1-one (3E,7R,8E,10S,13R)-7-hydroxy-13-(hydroxymethyl)-10-isopropyl-3,7,13-trimethyl-cyclotrideca-3,8-dien-1-one (3E,7R,8E,10S,13R)-7-hydroxy-13-(hydroxymethyl)-3,7,13-trimethyl-10-propan-2-yl-1-cyclotrideca-3,8-dienone (3E,7R,8E,10S,13R)-7-hydroxy-13-(hydroxymethyl)-3,7,13-trimethyl-10-propan-2-ylcyclotrideca-3,8-dien-1-one
Wiley ID 791999