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CHOLAN-24-OIC ACID, 3,7,12-TRIHYDROXY-, (3alpha,5beta,7alpha,12alpha)-

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CHOLAN-24-OIC ACID, 3,7,12-TRIHYDROXY-, (3alpha,5beta,7alpha,12alpha)-
SpectraBase Compound ID BRAPneEV0z7
InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)
InChIKey BHQCQFFYRZLCQQ-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C24H40O5
Exact Mass 408.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dq089gLjdOA
Name 3,7,12-Trihydroxycholan-24-oic acid
CAS Registry Number 81-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O5
InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)
InChIKey BHQCQFFYRZLCQQ-UHFFFAOYSA-N
Molecular Weight 408.579 g/mol
SMILES OC(CCC(C1C2(C(C3C(CC4CC(CCC4(C3CC2O)C)O)O)CC1)C)C)=O
SPLASH splash10-0pbc-9852000000-dd224d1acae729d7e214
Synonyms Cholan-24-oic acid, 3,7,12-trihydroxy-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)- (3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxycholan-24-oic acid sodium salt 3,7,12-Trihydroxy-cholan-24-oic acid (3-alpha,5-beta,7-alpha,12-alpha) 3,7,12-Trihydroxycholanic acid 3-.alpha.,7-.alpha.,12-.alpha.-Trihydroxy-5-.beta.-cholan-24-oic acid 3-.alpha.,7-.alpha.,12-.alpha.-Trihydroxycholansaeure 4-(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 4-(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 4-[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]pentanoic acid 5.beta.-Cholan-24-oic acid, 3.alpha.,7.alpha.,12.alpha.-trihydroxy- Cholalic acid Cholalin Cholan-24-oic acid, 3,7,12-trihydroxy-, (3-alpha,5-beta,7-alpha,12-alpha)- Cholate Cholic acid Cholsaeure Trihydroxycholanic acid, (3.alpha., 7.beta., 12.alpha.)- Colalin BRN 2822009 CCRIS 1626 EINECS 201-337-8 HSDB 982
Wiley ID 1472574