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(6aR,10aR)-3-[1-(1,2-cis-Hexen-1-yl)-cyclopent-1-yl]-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one

View entire compound with spectra: 1 MS (GC)

(6aR,10aR)-3-[1-(1,2-cis-Hexen-1-yl)-cyclopent-1-yl]-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one
SpectraBase Compound ID Fxh131nxb8X
InChI InChI=1S/C26H36O3/c1-4-5-6-7-12-26(13-8-9-14-26)18-15-22(28)24-20-17-19(27)10-11-21(20)25(2,3)29-23(24)16-18/h7,12,15-16,20-21,28H,4-6,8-11,13-14,17H2,1-3H3/b12-7-/t20-,21-/m1/s1
InChIKey ILUXBVCBNGUPEC-WLEBJDBUSA-N
Mol Weight 396.6 g/mol
Molecular Formula C26H36O3
Exact Mass 396.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByajqkiFekU
Name (6aR,10aR)-3-[1-(1,2-cis-Hexen-1-yl)-cyclopent-1-yl]-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one
Appearance White foam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O3
InChI InChI=1S/C26H36O3/c1-4-5-6-7-12-26(13-8-9-14-26)18-15-22(28)24-20-17-19(27)10-11-21(20)25(2,3)29-23(24)16-18/h7,12,15-16,20-21,28H,4-6,8-11,13-14,17H2,1-3H3/b12-7-/t20-,21-/m1/s1
InChIKey ILUXBVCBNGUPEC-WLEBJDBUSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm100641g
Molecular Weight 396.571 g/mol
SMILES Oc1c2[C@@]3(CC(CC[C@]3(C(Oc2cc(c1)C1(\C=C/CCCC)CCCC1)(C)C)[H])=O)[H]
SPLASH splash10-053r-6049000000-6b3d766ae1c05743cc6f
Source of Spectrum AF-53-7003-6a
Wiley ID 1846300