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(22-E)-11-BETA-HYDROXY-24-NORCHOLESTA-1,4,22-TRIEN-3-ONE
SpectraBase Compound ID 4zFfakb8UD1
InChI InChI=1S/C26H38O2/c1-16(2)6-7-17(3)21-10-11-22-20-9-8-18-14-19(27)12-13-25(18,4)24(20)23(28)15-26(21,22)5/h6-7,12-14,16-17,20-24,28H,8-11,15H2,1-5H3/b7-6+/t17-,20+,21-,22+,23+,24-,25+,26-/m1/s1
InChIKey OHIIYCVXNFGIMU-YIEBSULKSA-N
Mol Weight 382.6 g/mol
Molecular Formula C26H38O2
Exact Mass 382.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUK1Z3j37Zw
Name (8S,9S,10R,11S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5-methylhex-3-en-2-yl]-11-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O2
InChI InChI=1S/C26H38O2/c1-16(2)6-7-17(3)21-10-11-22-20-9-8-18-14-19(27)12-13-25(18,4)24(20)23(28)15-26(21,22)5/h6-7,12-14,16-17,20-24,28H,8-11,15H2,1-5H3/b7-6+/t17-,20+,21-,22+,23+,24-,25+,26-/m1/s1
InChIKey OHIIYCVXNFGIMU-YIEBSULKSA-N
Molecular Weight 382.588 g/mol
SMILES O[C@]1(C[C@]2([C@]([C@@]3(CCC4=CC(C=C[C@@]4([C@@]13[H])C)=O)[H])(CC[C@@]2([C@@](\C=C\C(C)C)(C)[H])[H])[H])C)[H]
SPLASH splash10-00dj-0930000000-8d9dc6bfb8df8e66cfbd
Source of Spectrum X2-68-1114-6
Synonyms (8S,9S,10R,11S,13R,14S,17R)-11-hydroxy-10,13-dimethyl-17-[(E,2R)-5-methylhex-3-en-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (8S,9S,10R,11S,13R,14S,17R)-17-[(E,1R)-1,4-dimethylpent-2-enyl]-11-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Wiley ID 1609627