3-Hydroxy-19-Nor-1,3,5(10)-Cholatrien-24-Oic Acid
[CAS# 100772-18-7]

Identification

• Name: 3-Hydroxy-19-Nor-1,3,5(10)-Cholatrien-24-Oic Acid
• Synonyms: (4R)-4-[(8S,9S,13R,14S,17R)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3-Hydroxy-19-Nor-1,3,5(10)-Cholatrien-24-Oic Acid; 3-Hydroxy-19-Norchola-1,3,5(10)-Trien-24-Oic Acid
• Molecular Formula: C₂₃H₃₂O₃
• Molecular Weight: 356.50
• CAS Registry Number: 100772-18-7
• SMILES: [C@@H]3(CC[C@H]4[C@@H]2CCC1=C(C=CC(=C1)O)[C@H]2CC[C@]34C)[C@@H](CCC(=O)O)C
• InChI: 1S/C23H32O3/c1-14(3-10-22(25)26)20-8-9-21-19-6-4-15-13-16(24)5-7-17(15)18(19)11-12-23(20,21)2/h5,7,13-14,18-21,24H,3-4,6,8-12H2,1-2H3,(H,25,26)/t14-,18-,19-,20-,21+,23-/m1/s1
• InChIKey: XMOYAJSUUCZZLU-XLAFRRDFSA-N

Properties

• Density: 1.13g/cm³ (Cal.)
• Boiling point: 537.458°C at 760 mmHg (Cal.)
• Flash point: 292.914°C (Cal.)