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5a-Cholestan-6-on-5a-ol
SpectraBase Compound ID JYutpvvVvtn
InChI InChI=1S/C27H46O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-23,29H,6-17H2,1-5H3
InChIKey AYXDXVGGAIDTQI-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpWXPhBVvoH
Name 17-(1,5-Dimethylhexyl)-5-hydroxy-10,13-dimethylhexadecahydrocyclopenta[a]phenanthren-6-one
CAS Registry Number 19043-54-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-23,29H,6-17H2,1-5H3
InChIKey AYXDXVGGAIDTQI-UHFFFAOYSA-N
Molecular Weight 402.663 g/mol
SMILES OC12CCCCC1(C1C(CC2=O)C2C(CC1)(C)C(CC2)C(CCCC(C)C)C)C
SPLASH splash10-0ktf-9833100000-da0ba7e299739fd1b1ca
Source of Spectrum CM-1999-8377-0
Synonyms Cholestan-5-ol-6-one 10,13-dimethyl-17-(6-methylheptan-2-yl)-5-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one 17-(1,5-Dimethyl-hexyl)-5-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phen 17-(1,5-dimethylhexyl)-5-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one 5-Hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one 5-Hydroxycholestan-6-one
Wiley ID 470731