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trans-(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
SpectraBase Compound ID 5IZjdb2NDGy
InChI InChI=1S/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14?,16-,17-/m1/s1
InChIKey XKRHRBJLCLXSGE-VNCLPFQGSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjmHVXTXtsI
Name trans-(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14?,16-,17-/m1/s1
InChIKey XKRHRBJLCLXSGE-VNCLPFQGSA-N
Instrument Name Thermo Scientific DSQII
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.1c00567
Molecular Weight 316.485 g/mol
SMILES Oc1c2c(cc(c1)CCCCC)OC([C@]1([C@]2(CC(CC1)C)[H])[H])(C)C
SPLASH splash10-0229-1892000000-019c20dad4012e9d2be9
Sample Comments Trans isomer
Source of Spectrum G4-84-SM26-trans-8
Wiley ID 1884128