Methyl (E,6R)-2-Methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Hept-2-Enoate
[CAS# 144210-47-9]

Identification

• Name: Methyl (E,6R)-2-Methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Hept-2-Enoate
• Synonyms: (E,6R)-2-Methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Hept-2-Enoic Acid Methyl Ester; Cholest-24-En-26-Oic Acid, 3,7,12-Trihydroxy-, Methyl Ester, (3Alpha,5Beta,7Alpha,12Alpha,24E)-; Methyl 3Alpha,7Alpha,12Alpha-Trihydroxy-5Beta Cholest-24-En-26-Oate
• Molecular Formula: C₂₈H₄₆O₅
• Molecular Weight: 462.67
• CAS Registry Number: 144210-47-9
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CC\C=C(C(OC)=O)/C)C)([C@@H](O)C[C@@H]2[C@@]4([C@H](C[C@H]3O)C[C@H](O)CC4)C)C
• InChI: 1S/C28H46O5/c1-16(7-6-8-17(2)26(32)33-5)20-9-10-21-25-22(15-24(31)28(20,21)4)27(3)12-11-19(29)13-18(27)14-23(25)30/h8,16,18-25,29-31H,6-7,9-15H2,1-5H3/b17-8+/t16-,18+,19-,20-,21+,22+,23-,24+,25+,27+,28-/m1/s1
• InChIKey: SZDHRKMCESZUCV-WKGGVHHNSA-N

Properties

• Density: 1.12g/cm³ (Cal.)
• Boiling point: 581.85°C at 760 mmHg (Cal.)
• Flash point: 183.853°C (Cal.)