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5.beta.-Cholanic acid, 3-hydroxy-, (3.alpha.,5.beta.)

View entire compound with spectra: 5 NMR, and 2 MS (GC)

5.beta.-Cholanic acid, 3-hydroxy-, (3.alpha.,5.beta.)
SpectraBase Compound ID Ap6nWnaVhqq
InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)
InChIKey SMEROWZSTRWXGI-UHFFFAOYSA-N
Mol Weight 376.6 g/mol
Molecular Formula C24H40O3
Exact Mass 376.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lo9Jnl0rjM6
Name Cholan-24-oic acid, 3-hydroxy-, (3.alpha.,5.beta.)-
Alternate Name(s) (3-alpha,5-beta)-3-hydroxycholan-24-oic acid 17-.beta.-(1-Methyl-3-carboxypropyl)ethiocholan-3-.alpha.-ol 3-Hydroxycholan-24-oic acid 3.alpha.-Hydroxy-5.beta.-cholan-24-oic acid 3.alpha.-Hydroxy-5.beta.-cholanic acid 3.alpha.-Hydroxy-5.beta.-cholanoic acid 3.alpha.-Hydroxycholanic acid 4-(10,13-dimethyl-3-oxidanyl-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-hydroxy-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-hydroxy-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 5-.beta.-Cholanic acid, 3-.alpha.-hydroxy- 5.beta.-Cholan-24-oic acid, 3.alpha.-hydroxy- 5.beta.-cholan-24-oic acid-3.alpha.-ol 5.beta.-Cholanic acid-3.alpha.-ol Cholan-24-oic acid, 3-hydroxy-, (3-alpha,5-beta)- Lithocholate Lithocholic acid Lithocolic acid BRN 3217757 CCRIS 363 EINECS 207-099-1 HSDB 4113 NCI-C03861 NSC 683770
CAS Registry Number 434-13-9
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Formula C24H40O3
InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)
InChIKey SMEROWZSTRWXGI-UHFFFAOYSA-N
Molecular Weight 376.581 g/mol
SMILES OC1CCC2(C(CCC3C4C(C(C(CCC(=O)O)C)CC4)(CCC23)C)C1)C
SPLASH splash10-0aor-9732000000-f1fb01e5fdbe57831dc5
Source of Spectrum HE-1982-0-0
Wiley ID 55035