Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-7,12-dihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-

SpectraBase Compound ID	Ir4kBI5Q3iU
InChI	InChI=1S/C28H46O7/c1-6-34-26(32)35-18-11-12-27(3)17(13-18)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-23,25,29-30H,6-15H2,1-5H3
InChIKey	KIRFLCKWEBLZMD-UHFFFAOYSA-N Google Search
Mol Weight	494.7 g/mol
Molecular Formula	C28H46O7
Exact Mass	494.324354 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	5KDjMmTYtil
Name	Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-7,12-dihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
CAS Registry Number	21059-36-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H46O7
InChI	InChI=1S/C28H46O7/c1-6-34-26(32)35-18-11-12-27(3)17(13-18)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-23,25,29-30H,6-15H2,1-5H3
InChIKey	KIRFLCKWEBLZMD-UHFFFAOYSA-N
Molecular Weight	494.669 g/mol
SMILES	OC1C2(C(C3C(C4(C(CC3O)CC(CC4)OC(OCC)=O)C)C1)CCC2C(C)CCC(=O)OC)C
SPLASH	splash10-0gbi-0059200000-ef1ca957c7aee1aa977c
Source of Spectrum	T-68-5436-0
Synonyms	Methyl 3-[(ethoxycarbonyl)oxy]-7,12-dihydroxycholan-24-oate 4-(3-carbethoxyoxy-7,12-dihydroxy-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 4-(3-Ethoxycarbonyloxy-7,12-dihydroxy-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 Cholic acid, methyl ester, 3-(ethyl carbonate) Methyl 4-(3-ethoxycarbonyloxy-7,12-dihydroxy-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 Methyl 4-[3-ethoxycarbonyloxy-10,13-dimethyl-7,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl ester of cholic acid 3-(ethylcarbonate)
Wiley ID	1397945