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[1S-(1aalpha,7beta,7abeta,7balpha)]-Octahydro-1,4,7-trimethyl-1-(4-methylpentyl)-1H-cycloprop[e]azulen-4-en-7-ol
SpectraBase Compound ID F7Kkxszoelf
InChI InChI=1S/C20H34O/c1-13(2)7-6-11-19(4)16-9-8-14(3)15-10-12-20(5,21)17(15)18(16)19/h13,16-18,21H,6-12H2,1-5H3/t16-,17-,18-,19+,20+/m1/s1
InChIKey ANJLIBWXHBYHBX-UEDWAMCQSA-N
Mol Weight 290.5 g/mol
Molecular Formula C20H34O
Exact Mass 290.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hu5qysWWh0b
Name [1S-(1aalpha,7beta,7abeta,7balpha)]-Octahydro-1,4,7-trimethyl-1-(4-methylpentyl)-1H-cycloprop[e]azulen-4-en-7-ol
Alternate Name(s) Dihydroisocneorubin-X (1S,1aR,7S,7aS,7bR)-1,4,7-trimethyl-1-(4-methylpentyl)-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulen-7-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O
InChI InChI=1S/C20H34O/c1-13(2)7-6-11-19(4)16-9-8-14(3)15-10-12-20(5,21)17(15)18(16)19/h13,16-18,21H,6-12H2,1-5H3/t16-,17-,18-,19+,20+/m1/s1
InChIKey ANJLIBWXHBYHBX-UEDWAMCQSA-N
Literature Reference DOI 10.1002/cber.19801131217
Molecular Weight 290.491 g/mol
SMILES O[C@@]1([C@@]2(C(=C(CC[C@@]3([C@]2([C@@]3(C)CCCC(C)C)[H])[H])C)CC1)[H])C
SPLASH splash10-05nf-6980000000-e9a533b1e03a7e5ce837
Source of Spectrum K-113-3861-29
Wiley ID 1794389