5β-Cholanic acid
CAS Registry Number®
546-18-9
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CAS Name
5β-Cholanic acidMolecular Formula
C24H40O2Molecular Mass
360.57Cite this Page
5β-Cholanic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=546-18-9 (retrieved ) (CAS RN: 546-18-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey
InChIKey=RPKLZQLYODPWTM-LVVAJZGHSA-N
SMILES
C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@](CC3)(CCCC4)[H])[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, (5β)-
- 5β-Cholan-24-oic acid
- 5β-Cholanic acid
- (5β)-Cholan-24-oic acid
- 5β-Cholanoic acid
