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5-ALPHA-CHOLESTANE-3-BETA,6-BETA,7-ALPHA,15-ALPHA,16-BETA,26-HEXOL
SpectraBase Compound ID 1BcifPskROq
InChI InChI=1S/C27H48O6/c1-14(13-28)6-5-7-15(2)20-24(32)25(33)21-19-17(9-11-27(20,21)4)26(3)10-8-16(29)12-18(26)22(30)23(19)31/h14-25,28-33H,5-13H2,1-4H3/t14?,15-,16+,17+,18-,19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey CJQRVJNKQSUIFP-KUDIKQKISA-N
Mol Weight 468.7 g/mol
Molecular Formula C27H48O6
Exact Mass 468.345089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GvKDY40bCU
Name (3S,5S,6S,7S,8R,9S,10R,13R,14S,15R,16R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-7-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,7,15,16-pentol
CAS Registry Number 93368-84-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O6
InChI InChI=1S/C27H48O6/c1-14(13-28)6-5-7-15(2)20-24(32)25(33)21-19-17(9-11-27(20,21)4)26(3)10-8-16(29)12-18(26)22(30)23(19)31/h14-25,28-33H,5-13H2,1-4H3/t14?,15-,16+,17+,18-,19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey CJQRVJNKQSUIFP-KUDIKQKISA-N
Molecular Weight 468.675 g/mol
SMILES OCC(CCC[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@@]4([C@@]([C@]([C@]3([C@@]2([C@]([C@@]1(O)[H])(O)[H])[H])[H])(O)[H])(O)[H])[H])(O)[H])C)[H])C)[H])(C)[H])C
SPLASH splash10-0ik9-0066900000-6c7c5471d86b5fdfe8f9
Source of Spectrum X2-47-785-2
Synonyms (3S,5S,6S,7S,8R,9S,10R,13R,14S,15R,16R,17R)-17-[(1R)-6-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,7,15,16-pentol (3S,5S,6S,7S,8R,9S,10R,13R,14S,15R,16R,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,7,15,16-pentol
Wiley ID 1601513