1alpha,3beta-Dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oic acid
[CAS# 71204-89-2]

Identification

• Name: 1alpha,3beta-Dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oic acid
• Synonyms: (3R)-3-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(3R,5S)-3,5-Dihydroxy-2-Methylene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]Butanoic Acid; (3R)-3-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(3R,5S)-3,5-Dihydroxy-2-Methylenecyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]Butanoic Acid; (3R)-3-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(3R,5S)-3,5-Dihydroxy-2-Methylene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]Butyric Acid
• Molecular Formula: C₂₃H₃₄O₄
• Molecular Weight: 374.52
• CAS Registry Number: 71204-89-2
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C([C@H](O)C[C@@H](O)C2)=C)CC[C@@H]3[C@@H](CC(=O)O)C)C
• InChI: 1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7-/t14-,18+,19-,20+,21-,23-/m1/s1
• InChIKey: MBLYZRMZFUWLOZ-FEUSBDLHSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 572.462°C at 760 mmHg (Cal.)
• Flash point: 314.061°C (Cal.)