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Cyclohept[e]inden-7(1H)-one, 2,3,3a,4,5,5a,6,10,10a,10b-decahydro-10-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-(1-methylethenyl)-, (1.alpha.,3a.beta.,5a.alpha.,10.alpha.,10a.beta.,10b.alpha.)-(+)-
SpectraBase Compound ID TYpq2f1KP0
InChI InChI=1S/C20H30O3/c1-12(2)14-5-6-19(3)7-8-20(4)10-16(23)13(11-21)9-15(22)18(20)17(14)19/h9,14-15,17-18,21-22H,1,5-8,10-11H2,2-4H3/t14-,15-,17+,18+,19+,20-/m1/s1
InChIKey GPBUEMVUWFHSFU-PDURBABISA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JyvttwYWDf
Name Cyclohept[e]inden-7(1H)-one, 2,3,3a,4,5,5a,6,10,10a,10b-decahydro-10-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-(1-methylethenyl)-, (1.alpha.,3a.beta.,5a.alpha.,10.alpha.,10a.beta.,10b.alpha.)-(+)-
Alternate Name(s) (1S,3aS,5aR,10R,10aS,10bS)-10-hydroxy-8-(hydroxymethyl)-1-isopropenyl-3a,5a-dimethyl-2,3,3a,4,5,5a,6,10,10a,10b-decahydrocyclohepta[e]inden-7(1H)-one 3-(1-Methyl-ethenyl)-17,16-dimethyl-12-hydroxymethyl-10-hydroxy-tricyclo[7.5.0(5,6).0(4,1)]tetradeca-11-en-13-one
CAS Registry Number 99235-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-12(2)14-5-6-19(3)7-8-20(4)10-16(23)13(11-21)9-15(22)18(20)17(14)19/h9,14-15,17-18,21-22H,1,5-8,10-11H2,2-4H3/t14-,15-,17+,18+,19+,20-/m1/s1
InChIKey GPBUEMVUWFHSFU-PDURBABISA-N
Molecular Weight 318.457 g/mol
SMILES OCC1=C[C@]([C@@]2([C@@](CC1=O)(CC[C@@]1(CC[C@@]([C@@]21[H])(C(=C)C)[H])C)C)[H])(O)[H]
SPLASH splash10-0597-6921000000-f362839476dfe06cd2f7
Source of Spectrum B-38-1190-0
Wiley ID 1318794