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Cyclohept[e]inden-4(1H)-one, dodecahydro-7-hydroxy-3a,5a,9-trimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,3a.beta.,5a.alpha.,7.beta.,9.alpha.,10a.beta.,10b.alpha.)]-
SpectraBase Compound ID B7BZxPe99uG
InChI InChI=1S/C20H34O2/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/h12-16,18,21H,6-11H2,1-5H3/t13-,14-,15+,16+,18+,19+,20+/m1/s1
InChIKey INNACZLQXOLTPV-HCTHPUTCSA-N
Mol Weight 306.5 g/mol
Molecular Formula C20H34O2
Exact Mass 306.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1cxA5vUegq
Name Cyclohept[e]inden-4(1H)-one, dodecahydro-7-hydroxy-3a,5a,9-trimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,3a.beta.,5a.alpha.,7.beta.,9.alpha.,10a.beta.,10b.alpha.)]-
CAS Registry Number 67068-03-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O2
InChI InChI=1S/C20H34O2/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/h12-16,18,21H,6-11H2,1-5H3/t13-,14-,15+,16+,18+,19+,20+/m1/s1
InChIKey INNACZLQXOLTPV-HCTHPUTCSA-N
Molecular Weight 306.490 g/mol
SMILES O[C@]1(C[C@@]2([C@]([C@]3([C@](C(=O)C2)(CC[C@]3(C(C)C)[H])C)[H])(C[C@@](C1)(C)[H])[H])C)[H]
SPLASH splash10-0536-9100000000-95f0093fbb72ff02b72e
Source of Spectrum KC-1979-2716-0
Synonyms (1S,3aR,5aS,7R,9S,10aS,10bS)-7-hydroxy-1-isopropyl-3a,5a,9-trimethyldodecahydrocyclohepta[e]inden-4(1H)-one 6.beta.-hydroxy-4,8.alpha.,11.beta.-trimethyl-14.alpha.-isopropyltricyclo[9.3.0.0(2,8)]tetradecan-10-one
Wiley ID 1308544