(4R)-4-[(9R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-15-Oxo-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
[CAS# 136320-56-4]

Identification

• Name: (4R)-4-[(9R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-15-Oxo-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
• Synonyms: (4R)-4-[(9R,10S,13R,17R)-3-Hydroxy-15-Keto-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3-Hydroxy-15-Keto-Chol-8(14)-En-24-Oic Acid; 3-Hydroxy-15-Oxo-Chol-8(14)-En-24-Oic Acid
• Molecular Formula: C₂₄H₃₆O₄
• Molecular Weight: 388.55
• CAS Registry Number: 136320-56-4
• SMILES: [C@]34(C(=C1[C@@H]([C@@]2(C(CC1)CC(O)CC2)C)CC3)C(=O)C[C@@H]4[C@@H](CCC(=O)O)C)C
• InChI: 1S/C24H36O4/c1-14(4-7-21(27)28)19-13-20(26)22-17-6-5-15-12-16(25)8-10-23(15,2)18(17)9-11-24(19,22)3/h14-16,18-19,25H,4-13H2,1-3H3,(H,27,28)/t14-,15?,16?,18+,19-,23+,24-/m1/s1
• InChIKey: NNAVJINCKJAUPF-TYSIGZIMSA-N

Properties

• Density: 1.168g/cm³ (Cal.)
• Boiling point: 565.101°C at 760 mmHg (Cal.)
• Flash point: 309.614°C (Cal.)