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5-ALPHA-CHOLESTAN-15-ONE
SpectraBase Compound ID HB8AzfMhkpA
InChI InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)23-17-24(28)25-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h18-23,25H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,25-,26+,27-/m1/s1
InChIKey PROWAPIHNUWPLO-FVUYUTSVSA-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 6tvJSurFZGZ
Name (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-one
Alternate Name(s) (5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-one
CAS Registry Number 40071-71-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O
InChI InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)23-17-24(28)25-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h18-23,25H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,25-,26+,27-/m1/s1
InChIKey PROWAPIHNUWPLO-FVUYUTSVSA-N
Molecular Weight 386.664 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(C(=O)C[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0aor-9662000000-52e6a90d0d79f87002c0
Source of Spectrum SD-1981-0-0
Wiley ID 1363172