[2-[(8S,9S,10S,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxo-Ethyl] 3,7,11-Trimethyldodeca-2,6,10-Trienoate
[CAS# 118244-45-4]

Identification

• Name: [2-[(8S,9S,10S,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxo-Ethyl] 3,7,11-Trimethyldodeca-2,6,10-Trienoate
• Synonyms: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] (2Z,6Z)-3,7,11-Trimethyldodeca-2,6,10-Trienoate; (2Z,6Z)-3,7,11-Trimethyldodeca-2,6,10-Trienoic Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; (2Z,6Z)-3,7,11-Trimethyldodeca-2,6,10-Trienoic Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₃₆H₅₀O₆
• Molecular Weight: 578.79
• CAS Registry Number: 118244-45-4
• SMILES: [C@]14([C@H]([C@H]3[C@H]([C@@H](O)C1)[C@@]2(C(=CC(=O)C=C2)CC3)C)CC[C@]4(O)C(=O)COC(=O)\C=C(/CC\C=C(/CCC=C(C)C)C)C)C
• InChI: 1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11-,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1
• InChIKey: SBQAKZYUNWNIRL-WNWSKZGLSA-N

Properties

• Density: 1.155g/cm³ (Cal.)
• Boiling point: 712.475°C at 760 mmHg (Cal.)
• Flash point: 217.475°C (Cal.)