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(4R,4aS,6aS,6aR,6bR,8aR,12aR,14aS,14bS)-4,4a,6b,8a,11,11,14a-heptamethyl-6a-methylol-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

View entire compound with spectra: 1 MS (GC)

(4R,4aS,6aS,6aR,6bR,8aR,12aR,14aS,14bS)-4,4a,6b,8a,11,11,14a-heptamethyl-6a-methylol-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
SpectraBase Compound ID K9c1Vmmoip7
InChI InChI=1S/C30H50O2/c1-20-21(32)8-9-22-27(20,5)11-10-23-28(22,6)15-17-30(19-31)24-18-25(2,3)12-13-26(24,4)14-16-29(23,30)7/h20,22-24,31H,8-19H2,1-7H3/t20-,22+,23-,24+,26+,27+,28-,29+,30+/m0/s1
InChIKey IKOBLAPERMAFGU-JZYMYGMISA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWDdRwZVuMY
Name (4R,4aS,6aS,6aR,6bR,8aR,12aR,14aS,14bS)-4,4a,6b,8a,11,11,14a-heptamethyl-6a-methylol-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
Alternate Name(s) (4R,4aS,6aS,6aR,6bR,8aR,12aR,14aS,14bS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
CAS Registry Number 72183-92-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-20-21(32)8-9-22-27(20,5)11-10-23-28(22,6)15-17-30(19-31)24-18-25(2,3)12-13-26(24,4)14-16-29(23,30)7/h20,22-24,31H,8-19H2,1-7H3/t20-,22+,23-,24+,26+,27+,28-,29+,30+/m0/s1
InChIKey IKOBLAPERMAFGU-JZYMYGMISA-N
Molecular Weight 442.728 g/mol
SMILES OC[C@@]12[C@@]([C@@]3([C@]([C@@]4(CCC([C@@]([C@]4(CC3)C)(C)[H])=O)[H])(CC2)C)[H])(CC[C@]2(CCC(C[C@@]12[H])(C)C)C)C
SPLASH splash10-0bt9-4970700000-af5bf4dbf85a64842591
Source of Spectrum KC-1983-2465-0
Wiley ID 1385596