(2beta,3beta,5beta,22R)-2,3,14,20,25-Pentahydroxy-6-Oxocholest-7-En-22-Yl Acetate
[CAS# 22799-02-6]

Identification

• Name: (2beta,3beta,5beta,22R)-2,3,14,20,25-Pentahydroxy-6-Oxocholest-7-En-22-Yl Acetate
• Synonyms: 20-Hydroxyecdysone 22-acetate; 2β,3β,14,20,22(R),25-Hexahydroxy-7-cholesten-6-one 22-acetate
• Molecular Formula: C₂₉H₄₆O₈
• Molecular Weight: 522.67
• CAS Registry Number: 22799-02-6
• SMILES: CC(=O)O[C@H](CCC(C)(C)O)[C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O
• InChI: 1S/C29H46O8/c1-16(30)37-24(9-10-25(2,3)34)28(6,35)23-8-12-29(36)18-13-20(31)19-14-21(32)22(33)15-26(19,4)17(18)7-11-27(23,29)5/h13,17,19,21-24,32-36H,7-12,14-15H2,1-6H3/t17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
• InChIKey: YAIZECBIJHIPCU-FORVDKSSSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 707.1±60.0°C at 760 mmHg (Cal.)
• Flash point: 226.9±26.4°C (Cal.)
• Refractive index: 1.58 (Cal.)