3-BETA,7-BETA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER

SpectraBase Compound ID	HHp8GtRJJ3d
InChI	InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19+,20+,21+,23+,24+,25-/m1/s1
InChIKey	DLYVTEULDNMQAR-JNCYXBDVSA-N Google Search
Mol Weight	422.6 g/mol
Molecular Formula	C25H42O5
Exact Mass	422.303224 g/mol

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SpectraBase Spectrum ID	E3LjjFN3BpX
Name	(4R)-4-[(3S,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
CAS Registry Number	81702-94-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H42O5
InChI	InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19+,20+,21+,23+,24+,25-/m1/s1
InChIKey	DLYVTEULDNMQAR-JNCYXBDVSA-N
Molecular Weight	422.606 g/mol
SMILES	O[C@@]1([C@]2([C@]([C@@]3([C@](C[C@]4([C@@]([C@]3(C1)[H])(CC[C@@](C4)(O)[H])C)[H])(O)[H])[H])(CC[C@@]2([C@@](CCC(=O)OC)(C)[H])[H])[H])C)[H]
SPLASH	splash10-00dr-0091000000-df075f3cbdb7e0df2e6d
Source of Spectrum	KO-9-474-3
Synonyms	(4R)-4-[(3S,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl (4R)-4-[(3S,5S,7S,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(3S,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Wiley ID	1378716