(E,6R)-6-[(3S,10S,13R,14R,15S,17R)-3,15-Diacetyloxy-4,4,10,13,14-Pentamethyl-2,3,5,6,12,15,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Methylhept-2-Enoic Acid
[CAS# 112430-63-4]

Identification

• Name: (E,6R)-6-[(3S,10S,13R,14R,15S,17R)-3,15-Diacetyloxy-4,4,10,13,14-Pentamethyl-2,3,5,6,12,15,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Methylhept-2-Enoic Acid
• Synonyms: (E,6R)-6-[(3S,10S,13R,14R,15S,17R)-3,15-Diacetoxy-4,4,10,13,14-Pentamethyl-2,3,5,6,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Hept-2-Enoic Acid; (E,6R)-6-[(3S,10S,13R,14R,15S,17R)-3,15-Diacetoxy-4,4,10,13,14-Pentamethyl-2,3,5,6,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methylhept-2-Enoic Acid; (E,6R)-6-[(3S,10S,13R,14R,15S,17R)-3,15-Diacetyloxy-4,4,10,13,14-Pentamethyl-2,3,5,6,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Hept-2-Enoic Acid
• Molecular Formula: C₃₄H₅₀O₆
• Molecular Weight: 554.77
• CAS Registry Number: 112430-63-4
• SMILES: [C@@]34(C2=CCC1C([C@@H](OC(=O)C)CC[C@@]1(C2=CC[C@@]3([C@@H]([C@@H](CC\C=C(C(=O)O)/C)C)C[C@@H]4OC(=O)C)C)C)(C)C)C
• InChI: 1S/C34H50O6/c1-20(11-10-12-21(2)30(37)38)26-19-29(40-23(4)36)34(9)25-13-14-27-31(5,6)28(39-22(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h12-13,15,20,26-29H,10-11,14,16-19H2,1-9H3,(H,37,38)/b21-12+/t20-,26-,27?,28+,29+,32-,33-,34-/m1/s1
• InChIKey: OTUZGGSAOMCYNC-FHWYVJHPSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 633.819°C at 760 mmHg (Cal.)
• Flash point: 191.091°C (Cal.)