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Cyclohept[e]inden-4(1H)-one, dodecahydro-7,9,10-trihydroxy-3a,5a,9-trimethyl-1-(1-methylethyl)-
SpectraBase Compound ID 7S3N2XFHjA3
InChI InChI=1S/C20H34O4/c1-11(2)13-6-7-19(4)14(22)10-18(3)8-12(21)9-20(5,24)17(23)16(18)15(13)19/h11-13,15-17,21,23-24H,6-10H2,1-5H3/t12-,13+,15?,16?,17+,18-,19-,20-/m0/s1
InChIKey OWLDZDIXZUYHEL-ZHXMPBRQSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49Y4HaBlorA
Name Cyclohept[e]inden-4(1H)-one, dodecahydro-7,9,10-trihydroxy-3a,5a,9-trimethyl-1-(1-methylethyl)-
Alternate Name(s) (1R,3aR,5aS,7S,9S,10R)-7,9,10-trihydroxy-1-isopropyl-3a,5a,9-trimethyldodecahydrocyclohepta[e]inden-4(1H)-one 3,4,6.beta.-trihydroxy-4,8.alpha.,11.beta.-trimethyl-14.alpha.-isopropyltricyclo[9.3.0.0(2,8)]tetradecan-10-one
CAS Registry Number 73245-55-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-11(2)13-6-7-19(4)14(22)10-18(3)8-12(21)9-20(5,24)17(23)16(18)15(13)19/h11-13,15-17,21,23-24H,6-10H2,1-5H3/t12-,13+,15?,16?,17+,18-,19-,20-/m0/s1
InChIKey OWLDZDIXZUYHEL-ZHXMPBRQSA-N
Molecular Weight 338.488 g/mol
SMILES O[C@@]1(C[C@@]([C@@](C2[C@@](C1)(CC([C@]1(C2[C@](CC1)(C(C)C)[H])C)=O)C)(O)[H])(O)C)[H]
SPLASH splash10-0596-9210000000-47ec3ccabc39e16d289b
Source of Spectrum KC-1979-2716-0
Wiley ID 1333932