[(3S,9S,14S,17R)-17-Acetyl-3-Acetyloxy-6-Chloro-10,13-Dimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 3044-32-4]

Identification

• Name: [(3S,9S,14S,17R)-17-Acetyl-3-Acetyloxy-6-Chloro-10,13-Dimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: [(3S,9S,14S,17R)-3-Acetoxy-17-Acetyl-6-Chloro-10,13-Dimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(3S,9S,14S,17R)-3-Acetoxy-17-Acetyl-6-Chloro-10,13-Dimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(3S,9S,14S,17R)-3-Acetyloxy-6-Chloro-17-Ethanoyl-10,13-Dimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₅H₃₃ClO₅
• Molecular Weight: 448.99
• CAS Registry Number: 3044-32-4
• SMILES: [C@H]12C([C@](OC(=O)C)(CC1)C(=O)C)(CC[C@H]3C2C=C(Cl)C4=C[C@@H](OC(=O)C)CCC34C)C
• InChI: 1S/C25H33ClO5/c1-14(27)25(31-16(3)29)11-8-20-18-13-22(26)21-12-17(30-15(2)28)6-9-23(21,4)19(18)7-10-24(20,25)5/h12-13,17-20H,6-11H2,1-5H3/t17-,18?,19-,20-,23?,24?,25-/m0/s1
• InChIKey: KSCZWFXQKITHSL-QVQSBWAASA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 530.809°C at 760 mmHg (Cal.)
• Flash point: 167.114°C (Cal.)