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(3aS,4R,5S,8aR)-3-methyl-5-(6-methylhept-5-en-2-yl)-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-4-ol
SpectraBase Compound ID FcQpfwAdWCM
InChI InChI=1S/C20H32O/c1-13(2)7-6-8-14(3)18-12-9-15(4)17-11-10-16(5)19(17)20(18)21/h7,10,14,17-21H,4,6,8-9,11-12H2,1-3,5H3/t14?,17-,18-,19+,20+/m0/s1
InChIKey KFIZBQZEEKZCAT-DQRIWYBJSA-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 6Rt6rZFibSY
Name (3aS,4R,5S,8aR)-3-methyl-5-(6-methylhept-5-en-2-yl)-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-4-ol
Alternate Name(s) (3aS,4R,5S,8aR)-3-methyl-8-methylene-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulen-4-ol (3aS,4R,5S,8aR)-5-(1,5-dimethylhex-4-enyl)-3-methyl-8-methylene-3a,4,5,6,7,8a-hexahydro-1H-azulen-4-ol 4-Azulenol, 5-(1,5-dimethyl-4-hexenyl)-1,3a,4,5,6,7,8,8a-octahydro-3-methyl-8-methylene-, (3aS-(3aalpha,4alpha,5alpha(S*),8abeta))- Pachydictyol A
CAS Registry Number 50299-47-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O
InChI InChI=1S/C20H32O/c1-13(2)7-6-8-14(3)18-12-9-15(4)17-11-10-16(5)19(17)20(18)21/h7,10,14,17-21H,4,6,8-9,11-12H2,1-3,5H3/t14?,17-,18-,19+,20+/m0/s1
InChIKey KFIZBQZEEKZCAT-DQRIWYBJSA-N
Molecular Weight 288.475 g/mol
SMILES O[C@]1([C@]2([C@](C(=C)CC[C@]1(C(CCC=C(C)C)C)[H])(CC=C2C)[H])[H])[H]
SPLASH splash10-05ox-9230000000-e98f3b5bf152d724ffe0
Source of Spectrum I-62-1670-0
Wiley ID 1292226