(5α)-Cholan-24-oic acid
CAS Registry Number®
468-98-4
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CAS Name
(5α)-Cholan-24-oic acidMolecular Formula
C24H40O2Molecular Mass
360.57Cite this Page
(5α)-Cholan-24-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=468-98-4 (retrieved ) (CAS RN: 468-98-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
170 °C
Source(s)
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-NIRKWIOJSA-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, (5α)-
- 5α-Cholan-24-oic acid
- 5α-Cholanic acid
- (5α)-Cholan-24-oic acid
- Allocholanic acid
