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(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5S)-5-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 3 MS (GC)

(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5S)-5-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID CVGe19WMezB
InChI InChI=1S/C27H46O/c1-6-18(2)7-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7-8,18-25,28H,6,9-17H2,1-5H3/b8-7+/t18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey MQDWBAYFXRRHRX-BPTFOWNUSA-N
Mol Weight 386.7 g/mol
Molecular Formula C27H46O
Exact Mass 386.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjzlMICkIGa
Name (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5S)-5-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Alternate Name(s) Patinosterol (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(E,1R,4S)-1,4-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O
InChI InChI=1S/C27H46O/c1-6-18(2)7-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7-8,18-25,28H,6,9-17H2,1-5H3/b8-7+/t18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey MQDWBAYFXRRHRX-BPTFOWNUSA-N
Molecular Weight 386.664 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](\C=C\[C@](CC)(C)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0a4i-7954000000-5d4973ecadd5afe41ed2
Source of Spectrum SD-1992-0-0
Wiley ID 161282