[2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2 ,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2 -Oxo-Ethyl] (2S,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxo-Hexanoate
[CAS# 7301-54-4]

Identification

• Name: [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2 ,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2 -Oxo-Ethyl] (2S,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxo-Hexanoate
• Synonyms: [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] (2S,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxo-Hexanoate; (2S,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxohexanoic Acid [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; (2S,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-Keto-Hexanoic Acid [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₇H₃₈O₁₁
• Molecular Weight: 538.59
• CAS Registry Number: 7301-54-4
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](O)C[C@@]3([C@](O)(CC4)C(=O)COC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)C
• InChI: 1S/C27H38O11/c1-25-7-5-14(29)9-13(25)3-4-15-16-6-8-27(37,26(16,2)10-17(30)20(15)25)19(32)12-38-24(36)23(35)22(34)21(33)18(31)11-28/h9,11,15-18,20-23,30-31,33-35,37H,3-8,10,12H2,1-2H3/t15-,16-,17+,18-,20+,21+,22-,23-,25-,26-,27-/m0/s1
• InChIKey: SAWZKWFVRPPPKZ-XJCJREKBSA-N

Properties

• Density: 1.448g/cm³ (Cal.)
• Boiling point: 815.958°C at 760 mmHg (Cal.)
• Flash point: 269.697°C (Cal.)