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1H-Dibenzo[a,d]cycloheptene, 2,3,5,10,11,11a-hexahydro-6,7-dimethoxy-1,1-dimethyl-8-(1-methylethyl)-, (S)-
SpectraBase Compound ID DR9edBZ2tmq
InChI InChI=1S/C22H32O2/c1-14(2)17-12-15-9-10-19-16(8-7-11-22(19,3)4)13-18(15)21(24-6)20(17)23-5/h8,12,14,19H,7,9-11,13H2,1-6H3/t19-/m1/s1
InChIKey QXHAKXGZUGCVJD-LJQANCHMSA-N
Mol Weight 328.5 g/mol
Molecular Formula C22H32O2
Exact Mass 328.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUVxI5qk1VK
Name 1H-Dibenzo[a,d]cycloheptene, 2,3,5,10,11,11a-hexahydro-6,7-dimethoxy-1,1-dimethyl-8-(1-methylethyl)-, (S)-
Alternate Name(s) (11aS)-8-isopropyl-6,7-dimethoxy-1,1-dimethyl-2,3,5,10,11,11a-hexahydro-1H-dibenzo[a,d]cycloheptene Dimethylether of barbatusol
CAS Registry Number 88515-78-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O2
InChI InChI=1S/C22H32O2/c1-14(2)17-12-15-9-10-19-16(8-7-11-22(19,3)4)13-18(15)21(24-6)20(17)23-5/h8,12,14,19H,7,9-11,13H2,1-6H3/t19-/m1/s1
InChIKey QXHAKXGZUGCVJD-LJQANCHMSA-N
Molecular Weight 328.496 g/mol
SMILES c12c(c(OC)c(cc2CC[C@@]2(C(C1)=CCCC2(C)C)[H])C(C)C)OC
SPLASH splash10-004i-0469000000-325f2547594b2e6ed43b
Source of Spectrum F-39-3607-0
Wiley ID 1326789