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Cyclohept[e]inden-4(1H)-one, 2,3,3a,5,5a,6,7,8,10a,10b-decahydro-7-hydroxy-3a,5a,9-trimethyl-1-(1- methylethyl)-, [1S-(1.alpha.,3a.beta.,5.alpha..alpha.,7.beta.,10a.beta.,10b.alpha.)]-
SpectraBase Compound ID 9M4sd2Fu3lR
InChI InChI=1S/C20H32O2/c1-12(2)15-6-7-20(5)17(22)11-19(4)10-14(21)8-13(3)9-16(19)18(15)20/h9,12,14-16,18,21H,6-8,10-11H2,1-5H3/t14-,15+,16+,18+,19+,20+/m1/s1
InChIKey VVNIZLYDLPGALL-VRYCVARASA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YNZnIHq717
Name Cyclohept[e]inden-4(1H)-one, 2,3,3a,5,5a,6,7,8,10a,10b-decahydro-7-hydroxy-3a,5a,9-trimethyl-1-(1- methylethyl)-, [1S-(1.alpha.,3a.beta.,5.alpha..alpha.,7.beta.,10a.beta.,10b.alpha.)]-
Alternate Name(s) (1S,3aR,5aS,7R,10aS,10bS)-7-hydroxy-1-isopropyl-3a,5a,9-trimethyl-2,3,3a,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e]inden-4(1H)-one 6.beta.-hydroxy-4,8.alpha.,11.beta.-trimethyl-14.alpha.-isopropyltricyclo[9.3.0.0(2,8)]tetrdec-3-en-10-one
CAS Registry Number 67068-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-12(2)15-6-7-20(5)17(22)11-19(4)10-14(21)8-13(3)9-16(19)18(15)20/h9,12,14-16,18,21H,6-8,10-11H2,1-5H3/t14-,15+,16+,18+,19+,20+/m1/s1
InChIKey VVNIZLYDLPGALL-VRYCVARASA-N
Molecular Weight 304.474 g/mol
SMILES O[C@]1(C[C@@]2([C@]([C@]3([C@](CC[C@]3(C(C)C)[H])(C)C(C2)=O)[H])(C=C(C1)C)[H])C)[H]
SPLASH splash10-0006-9410000000-660221d4ad68ef59d2bc
Source of Spectrum KC-1979-2715-0
Wiley ID 1306856