12α-Hydroxy-3-oxo-4,6-choladien-24-oic acid
CAS Registry Number®
13535-96-1
CAS Name
12α-Hydroxy-3-oxo-4,6-choladien-24-oic acidMolecular Formula
C24H34O4Molecular Mass
386.52Cite this Page
12α-Hydroxy-3-oxo-4,6-choladien-24-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=13535-96-1 (retrieved ) (CAS RN: 13535-96-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
252-254 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,12,14,17-21,26H,4,7-11,13H2,1-3H3,(H,27,28)/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey
InChIKey=DJVAMCYXFUWMLS-QUPGBHKMSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C=C3)=CC(=O)CC4)(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CC(O)C21C
Other Names for this Substance
- Chola-4,6-dien-24-oic acid, 12-hydroxy-3-oxo-, (12α)-
- Chola-4,6-dienic acid, 12α-hydroxy-3-oxo-
- (12α)-12-Hydroxy-3-oxochola-4,6-dien-24-oic acid
- 12α-Hydroxy-3-oxochola-4,6-dienic acid
- 12α-Hydroxy-3-oxo-4,6-choladien-24-oic acid
Deleted or Replaced CAS Registry Numbers
101799-27-3