(4R)-4-[(8R,9S,10S,13R,14S,17R)-7,12-Dihydroxy-10,13-Dimethyl-3-[2-[(3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Acetyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
[CAS# 131528-41-1]

Identification

• Name: (4R)-4-[(8R,9S,10S,13R,14S,17R)-7,12-Dihydroxy-10,13-Dimethyl-3-[2-[(3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Acetyl]-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-[(8R,9S,10S,13R,14S,17R)-7,12-Dihydroxy-10,13-Dimethyl-3-[2-[(3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Acetyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoic Acid; (4R)-4-[(8R,9S,10S,13R,14S,17R)-7,12-Dihydroxy-10,13-Dimethyl-3-[1-Oxo-2-[(3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoic Acid; (4R)-4-[(8R,9S,10S,13R,14S,17R)-7,12-Dihydroxy-10,13-Dimethyl-3-[2-[(3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Acetyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid
• Molecular Formula: C₃₂H₅₂O₁₀
• Molecular Weight: 596.76
• CAS Registry Number: 131528-41-1
• SMILES: [C@@H]23C(CC1CC(CC[C@@]1([C@H]2CC([C@]4([C@H]3CC[C@@H]4[C@@H](CCC(=O)O)C)C)O)C)C(=O)CC5[C@H](O)[C@@H](O)[C@H](O)[C@H](O5)CO)O
• InChI: 1S/C32H52O10/c1-15(4-7-26(37)38)18-5-6-19-27-20(12-25(36)32(18,19)3)31(2)9-8-16(10-17(31)11-22(27)35)21(34)13-23-28(39)30(41)29(40)24(14-33)42-23/h15-20,22-25,27-30,33,35-36,39-41H,4-14H2,1-3H3,(H,37,38)/t15-,16?,17?,18-,19+,20+,22?,23?,24-,25?,27+,28+,29-,30-,31+,32-/m1/s1
• InChIKey: JCXBHQBUBMRSAZ-VKIZJLMMSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 794.376°C at 760 mmHg (Cal.)
• Flash point: 250.212°C (Cal.)