[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-Acetyloxy-2-Hydroxy-4,4,9,13,14-Pentamethyl-3,11-Dioxo-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-6-Hydroxy-2-Methyl-5-Oxohept-3-En-2-Yl] Acetate
[CAS# 37710-13-7]

Identification

• Name: [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-Acetyloxy-2-Hydroxy-4,4,9,13,14-Pentamethyl-3,11-Dioxo-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-6-Hydroxy-2-Methyl-5-Oxohept-3-En-2-Yl] Acetate
• Synonyms: [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-Acetyloxy-2-Hydroxy-4,4,9,13,14-Pentamethyl-3,11-Dioxo-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-6-Hydroxy-2-Methyl-5-Oxohept-3-En-2-Yl] Acetate; [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-Acetoxy-2-Hydroxy-4,4,9,13,14-Pentamethyl-3,11-Dioxo-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5-Hydroxy-1,1-Dimethyl-4-Oxo-Hex-2-Enyl] Acetate; [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-Acetoxy-2-Hydroxy-4,4,9,13,14-Pentamethyl-3,11-Dioxo-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5-Hydroxy-1,1-Dimethyl-4-Oxo-Hex-2-Enyl] Acetate
• Molecular Formula: C₃₄H₄₈O₉
• Molecular Weight: 600.75
• CAS Registry Number: 37710-13-7
• SMILES: [C@@]12([C@@]([C@@H]([C@](C(/C=C/C(OC(=O)C)(C)C)=O)(O)C)[C@@H](C1)OC(=O)C)(CC([C@@]3([C@H]2CC=C4C(C(=O)[C@H](C[C@@H]34)O)(C)C)C)=O)C)C
• InChI: 1S/C34H48O9/c1-18(35)42-23-16-31(7)24-12-11-20-21(15-22(37)28(40)30(20,5)6)33(24,9)26(39)17-32(31,8)27(23)34(10,41)25(38)13-14-29(3,4)43-19(2)36/h11,13-14,21-24,27,37,41H,12,15-17H2,1-10H3/b14-13+/t21-,22+,23-,24+,27+,31+,32-,33+,34+/m1/s1
• InChIKey: VDSNEQABQQKTRF-ZHECFNFVSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 703.632°C at 760 mmHg (Cal.)
• Flash point: 215.252°C (Cal.)