(4beta,5alpha,12beta,16alpha,20R)-4-Ethyl-16,20-Dihydroxy-12-((3-Hydroxy-1-Oxopentyl)Oxy)-4,8-Dimethyl-D(17alpha)-Homopregn-17-Ene-17alpha-Carboxylic Acid gamma-Lactone
[CAS# 145613-54-3]

Identification

• Name: (4beta,5alpha,12beta,16alpha,20R)-4-Ethyl-16,20-Dihydroxy-12-((3-Hydroxy-1-Oxopentyl)Oxy)-4,8-Dimethyl-D(17alpha)-Homopregn-17-Ene-17alpha-Carboxylic Acid gamma-Lactone
• Synonyms: Phyllactone A; Phyllactone B
• Molecular Formula: C₃₂H₅₀O₆
• Molecular Weight: 530.74
• CAS Registry Number: 145613-54-3
• SMILES: [C@@]23([C@@H]([C@@]1([C@H]([C@](CCC1)(CC)C)CC2)C)C[C@@H](OC(=O)CC(O)CC)[C@]4([C@H]3C[C@@H](O)C5=C4C(O[C@@H]5C)=O)C)C
• InChI: 1S/C32H50O6/c1-8-19(33)15-25(35)38-24-17-22-30(5)13-10-12-29(4,9-2)21(30)11-14-31(22,6)23-16-20(34)26-18(3)37-28(36)27(26)32(23,24)7/h18-24,33-34H,8-17H2,1-7H3/t18-,19?,20-,21+,22-,23+,24-,29+,30+,31-,32-/m1/s1
• InChIKey: ASNLHWDCHRXQBN-CSYAWAKVSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 657.424°C at 760 mmHg (Cal.)
• Flash point: 204.685°C (Cal.)