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15-Oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol, 2,8,12-trimethyl-5-(1-methylethyl)-, [1S-(1R*,2S*,5R*,6E,8R*,10E,12S*)]-
SpectraBase Compound ID Blwbb1YyhOx
InChI InChI=1S/C20H34O3/c1-15(2)16-7-12-18(3,21)10-6-11-19(4)13-9-17(23-19)20(5,22)14-8-16/h6-7,11-12,15-17,21-22H,8-10,13-14H2,1-5H3/b11-6-,12-7-/t16-,17-,18-,19-,20+/m0/s1
InChIKey ZHPHIMPBIIBNTQ-GFYACYQJSA-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 HfHqIVCF3zn
Name 15-Oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol, 2,8,12-trimethyl-5-(1-methylethyl)-, [1S-(1R*,2S*,5R*,6E,8R*,10E,12S*)]-
Alternate Name(s) (1S,2E,4R,6E,8R,11S,12R)-8,11-epoxy-2,6-thunbergadiene-4,12-diol (1S,2E,4S,6E,8R,11S,12R)-8,11-epoxy-2,6-thunbergadiene-4,12-diol (1S,2R,5S,8S,12R)-5-isopropyl-2,8,12-trimethyl-15-oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol
CAS Registry Number 66890-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-15(2)16-7-12-18(3,21)10-6-11-19(4)13-9-17(23-19)20(5,22)14-8-16/h6-7,11-12,15-17,21-22H,8-10,13-14H2,1-5H3/b11-6-,12-7-/t16-,17-,18-,19-,20+/m0/s1
InChIKey ZHPHIMPBIIBNTQ-GFYACYQJSA-N
Molecular Weight 322.489 g/mol
SMILES O[C@@]1(CC[C@](\C=C/[C@](C\C=C/[C@@]2(O[C@]1(CC2)[H])C)(O)C)(C(C)C)[H])C
SPLASH splash10-0596-9310000000-a6ba525b72f9a957a372
Source of Spectrum SB-32-226-0
Wiley ID 1322013