22-Iso-Ecdysone
[CAS# 7703-83-5]

Identification

• Name: 22-Iso-Ecdysone
• Synonyms: (2S,3R,5R,9R,10R,13R,17R)-17-[(1S,2S)-2,5-Dihydroxy-1,5-Dimethyl-Hexyl]-2,3,14-Trihydroxy-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)-17-[(1S,2S)-2,5-Dihydroxy-1,5-Dimethylhexyl]-2,3,14-Trihydroxy-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)-17-[(2S,3S)-3,6-Dihydroxy-6-Methyl-Heptan-2-Yl]-2,3,14-Trihydroxy-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One
• Molecular Formula: C₂₇H₄₄O₆
• Molecular Weight: 464.64
• CAS Registry Number: 7703-83-5
• SMILES: [C@@H]13[C@@]4([C@H](C(=O)C=C1C2(O)[C@@]([C@H](CC2)[C@@H]([C@@H](O)CCC(O)(C)C)C)(CC3)C)C[C@@H](O)[C@@H](O)C4)C
• InChI: 1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20-,22+,23-,25+,26+,27?/m0/s1
• InChIKey: UPEZCKBFRMILAV-ZIPBXQHXSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 631.977°C at 760 mmHg (Cal.)
• Flash point: 350.014°C (Cal.)