(3beta,5beta,22R)-3,14,20,22,25-Pentahydroxycholest-7-En-6-One
[CAS# 17942-08-4]

Identification

• Name: (3beta,5beta,22R)-3,14,20,22,25-Pentahydroxycholest-7-En-6-One
• Synonyms: 2-Deoxy-20-hydroxyecdysone; 3β,14,20,22(R),25-Pentahydroxy-5β,7-cholesten-6-one
• Molecular Formula: C₂₇H₄₄O₆
• Molecular Weight: 464.63
• CAS Registry Number: 17942-08-4
• SMILES: C[C@]12CC[C@@H](C[C@H]1C(=O)C=C3[C@@H]2CC[C@]4([C@]3(CC[C@@H]4[C@](C)([C@@H](CCC(C)(C)O)O)O)O)C)O
• InChI: 1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17-,19-,21-,22+,24+,25+,26+,27+/m0/s1
• InChIKey: JNTQSSGVHLUIBL-GLPVALQZSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 672.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 374.3±28.0°C (Cal.)
• Refractive index: 1.584 (Cal.)