(4alpha,5alpha,10xi,13xi,22R)-22-Hydroxy-4-Methyl-6-Oxostigmast-7-En-3-Yl Benzoate
[CAS# 31077-78-8]

Identification

• Name: (4alpha,5alpha,10xi,13xi,22R)-22-Hydroxy-4-Methyl-6-Oxostigmast-7-En-3-Yl Benzoate
• Synonyms: stigmast-7-en-6-one, 3-(benzoyloxy)-22-hydroxy-4-methyl-, (3β,4α,5α,22R)-
• Molecular Formula: C₃₇H₅₄O₄
• Molecular Weight: 562.82
• CAS Registry Number: 31077-78-8
• SMILES: O=C4/C=C2/[C@@H]1CC[C@H]([C@H](C)[C@H](O)C[C@@H](CC)C(C)C)C1(C)CC[C@@H]2C5(CCC(OC(=O)c3ccccc3)[C@H]([C@H]45)C)C
• InChI: 1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33?,34+,36?,37?/m0/s1
• InChIKey: PQWWCRLPWBAFIP-AVJRXVOVSA-N

Properties

• Density: 1.092g/cm³ (Cal.)
• Boiling point: 648.37°C at 760 mmHg (Cal.)
• Flash point: 193.344°C (Cal.)