[(3S,8R,9S,10R,13S,14S,17S)-3-Acetyloxy-10,13,17-Trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 2061-86-1]

Identification

• Name: [(3S,8R,9S,10R,13S,14S,17S)-3-Acetyloxy-10,13,17-Trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: [(3S,8R,9S,10R,13S,14S,17S)-3-Acetoxy-10,13,17-Trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(3S,8R,9S,10R,13S,14S,17S)-3-Acetoxy-10,13,17-Trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(3S,8R,9S,10R,13S,14S,17S)-3-Acetyloxy-10,13,17-Trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₄H₃₆O₄
• Molecular Weight: 388.55
• CAS Registry Number: 2061-86-1
• EINECS: 218-167-5
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(=O)C)CC2)C)CC[C@@]3([C@@](OC(=O)C)(CC4)C)C
• InChI: 1S/C24H36O4/c1-15(25)27-18-8-11-22(3)17(14-18)6-7-19-20(22)9-12-23(4)21(19)10-13-24(23,5)28-16(2)26/h6,18-21H,7-14H2,1-5H3/t18-,19+,20-,21-,22-,23-,24-/m0/s1
• InChIKey: HHCVPHSEENQSLU-IWMXCVPLSA-N

Properties

• Density: 1.11g/cm³ (Cal.)
• Boiling point: 453.281°C at 760 mmHg (Cal.)
• Flash point: 215.736°C (Cal.)