(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S)-3,12-Dihydroxy-7,10,13-Trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
[CAS# 109582-23-2]

Identification

• Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S)-3,12-Dihydroxy-7,10,13-Trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
• Synonyms: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S)-3,12-Dihydroxy-7,10,13-Trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3Alpha,12Alpha-Dihydroxy-7-Xi-Methyl-5Beta-Cholanoic Acid; 7-Me-Dca
• Molecular Formula: C₂₅H₄₂O₄
• Molecular Weight: 406.60
• CAS Registry Number: 109582-23-2
• SMILES: [C@H]13[C@@H]([C@@]2([C@H](CC1C)C[C@H](O)CC2)C)C[C@H](O)[C@]4([C@H]3CCC4[C@@H](CCC(=O)O)C)C
• InChI: 1S/C25H42O4/c1-14(5-8-22(28)29)18-6-7-19-23-15(2)11-16-12-17(26)9-10-24(16,3)20(23)13-21(27)25(18,19)4/h14-21,23,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15?,16-,17-,18?,19+,20+,21+,23+,24+,25-/m1/s1
• InChIKey: UTDFMMXQANBWNX-CWUPUNKTSA-N