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(-)-(13S)Hydroxyneocembrene
SpectraBase Compound ID I1bhtklJejE
InChI InChI=1S/C20H32O/c1-15(2)19-13-12-17(4)9-6-8-16(3)10-7-11-18(5)20(21)14-19/h8,11-12,19-21H,1,6-7,9-10,13-14H2,2-5H3/b16-8+,17-12+,18-11+/t19-,20-/m0/s1
InChIKey CVITZXGTBCOBPR-PVVKSNLWSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ib1RkLsbZYc
Name (-)-(13S)Hydroxyneocembrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O
InChI InChI=1S/C20H32O/c1-15(2)19-13-12-17(4)9-6-8-16(3)10-7-11-18(5)20(21)14-19/h8,11-12,19-21H,1,6-7,9-10,13-14H2,2-5H3/b16-8+,17-12+,18-11+/t19-,20-/m0/s1
InChIKey CVITZXGTBCOBPR-PVVKSNLWSA-N
Molecular Weight 288.475 g/mol
SMILES O[C@@]1(\C(=C\CC\C(=C\CC\C(=C\C[C@@](C1)(C(=C)C)[H])C)C)C)[H]
SPLASH splash10-05nf-9400000000-35e3d887f42aa4619d9a
Source of Spectrum SO-0-397-15
Synonyms (1S,2E,6E,10E,13S)-2,6,10-trimethyl-13-(1-methylethenyl)-1-cyclotetradeca-2,6,10-trienol (1S,2E,6E,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol (1S,2E,6E,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-yl-cyclotetradeca-2,6,10-trien-1-ol
Wiley ID 864283