(3alpha,6alpha)-3,6-Dihydroxychol-4-En-24-Oic Acid
[CAS# 106460-50-8]

Identification

• Name: (3alpha,6alpha)-3,6-Dihydroxychol-4-En-24-Oic Acid
• Synonyms: 4-(3,6-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid; 4-(3,6-DIHYDROXY-10,13-DIMETHYL-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)PENTANOICACID
• Molecular Formula: C₂₄H₃₈O₄
• Molecular Weight: 390.56
• CAS Registry Number: 106460-50-8
• SMILES: O=C(O)CCC(C)C2CCC1C4C(CCC12C)C3(\C(=C/[C@H](O)CC3)[C@@H](O)C4)C
• InChI: 1S/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h12,14-19,21,25-26H,4-11,13H2,1-3H3,(H,27,28)/t14?,15-,16?,17?,18?,19?,21+,23?,24?/m1/s1
• InChIKey: AJQRAPNIKHYNJX-WYEPJGGDSA-N

Properties

• Density: 1.168g/cm³ (Cal.)
• Boiling point: 564.417°C at 760 mmHg (Cal.)
• Flash point: 309.2°C (Cal.)
• Refractive index: 1.567 (Cal.)