25-Deoxyecdysone
[CAS# 22005-50-1]

Identification

• Name: 25-Deoxyecdysone
• Synonyms: (2S,3R,5R,9R,10R,13R,17R)-2,3,14-Trihydroxy-17-[(1S,2R)-2-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One; (2S,3R,5R,9R,10R,13R,17R)-2,3,14-Trihydroxy-17-[(1S,2R)-2-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One; (2S,3R,5R,9R,10R,13R,17R)-2,3,14-Trihydroxy-17-[(2S,3R)-3-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One
• Molecular Formula: C₂₇H₄₄O₅
• Molecular Weight: 448.64
• CAS Registry Number: 22005-50-1
• SMILES: [C@@H]13[C@@]4([C@H](C(=O)C=C1C2(O)[C@@]([C@H](CC2)[C@@H]([C@H](O)CCC(C)C)C)(CC3)C)C[C@@H](O)[C@@H](O)C4)C
• InChI: 1S/C27H44O5/c1-15(2)6-7-21(28)16(3)17-9-11-27(32)19-12-22(29)20-13-23(30)24(31)14-25(20,4)18(19)8-10-26(17,27)5/h12,15-18,20-21,23-24,28,30-32H,6-11,13-14H2,1-5H3/t16-,17+,18-,20-,21+,23+,24-,25+,26+,27?/m0/s1
• InChIKey: HHQGPNBMKUXKRM-BEFWQOHYSA-N

Properties

• Density: 1.177g/cm³ (Cal.)
• Boiling point: 597.786°C at 760 mmHg (Cal.)
• Flash point: 329.359°C (Cal.)