Cholenic acid

C₂₄H₃₈O₃CAS 5255-17-4374.57 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid

Properties

Molecular formula: C₂₄H₃₈O₃
Molar mass: 374.57 g/mol
Exact mass: 374.2821 Da
Melting point: 169–170 °C
logP: 5.43Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4
Stereocentres: R, R, S, S, S, R, S, Rin SMILES atom order

Identifiers

CAS number

5255-17-4

SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey

HIAJCGFYHIANNA-QIZZZRFXSA-N

InChI

InChI=1S/C24H38O3/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/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all

Chol-5-en-24-oic acid, 3-hydroxy-, (3β)-
Chol-5-en-24-oic acid, 3β-hydroxy-
Chol-5-enic acid, 3β-hydroxy-
(3β)-3-Hydroxychol-5-en-24-oic acid
3β-Hydroxychol-5-enoic acid
3β-Hydroxychol-5-en-24-ic acid
δ5-Cholenic acid
3β-Hydroxychol-5-en-24-oic acid
3β-Hydroxy-5-cholenic acid
3β-Hydroxycholenoic acid
δ5-3β-Hydroxycholenic acid
3β-Hydroxy-δ5-cholenic acid
ZINC 04831336

Work with Cholenic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Campesterol474-62-474 % similar Cholesterol57-88-572 % similar 25-Hydroxycholesterol2140-46-770 % similar Beta-sitosterol83-46-567 % similar Pregnenolone145-13-166 % similar Androstenediol521-17-564 % similar Cholesteryl hemisuccinate1510-21-063 % similar Lithocholic acid434-13-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ginkgolic acid ii111047-30-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook