[(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-3-Acetyloxy-6,10,13-Trimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 3116-07-2]

Identification

• Name: [(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-3-Acetyloxy-6,10,13-Trimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: [(3S,8R,9S,10R,13S,14S,17R)-3-Acetoxy-17-Acetyl-6,10,13-Trimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(3S,8R,9S,10R,13S,14S,17R)-3-Acetoxy-17-Acetyl-6,10,13-Trimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(3S,8R,9S,10R,13S,14S,17R)-3-Acetyloxy-17-Ethanoyl-6,10,13-Trimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₆H₃₆O₅
• Molecular Weight: 428.57
• CAS Registry Number: 3116-07-2
• SMILES: [C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=C[C@@H](OC(C)=O)CC1)C(=C2)C)C)CC3)CC4)C)(OC(C)=O)C(C)=O
• InChI: 1S/C26H36O5/c1-15-13-20-21(24(5)10-7-19(14-23(15)24)30-17(3)28)8-11-25(6)22(20)9-12-26(25,16(2)27)31-18(4)29/h13-14,19-22H,7-12H2,1-6H3/t19-,20+,21-,22-,24+,25-,26-/m0/s1
• InChIKey: SDHHPVPFUVQWKY-AVHYYFBHSA-N

Properties

• Density: 1.151g/cm³ (Cal.)
• Boiling point: 511.817°C at 760 mmHg (Cal.)
• Flash point: 217.561°C (Cal.)