2-Dehydroecdysone
[CAS# 113846-79-0]

Identification

• Name: 2-Dehydroecdysone
• Synonyms: (3R,5R,9R,10R,13R,17R)-17-[(1S)-2,5-Dihydroxy-1,5-Dimethyl-Hexyl]-3,14-Dihydroxy-10,13-Dimethyl-1,3,4,5,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthrene-2,6-Dione; (3R,5R,9R,10R,13R,17R)-17-[(1S)-2,5-Dihydroxy-1,5-Dimethylhexyl]-3,14-Dihydroxy-10,13-Dimethyl-1,3,4,5,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthrene-2,6-Dione; (3R,5R,9R,10R,13R,17R)-17-[(1S)-2,5-Dihydroxy-1,5-Dimethyl-Hexyl]-3,14-Dihydroxy-10,13-Dimethyl-1,3,4,5,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthrene-2,6-Quinone
• Molecular Formula: C₂₇H₄₂O₆
• Molecular Weight: 462.63
• CAS Registry Number: 113846-79-0
• SMILES: [C@@H]13[C@@]4([C@H](C(=O)C=C1C2(O)[C@@]([C@H](CC2)[C@@H](C(O)CCC(O)(C)C)C)(CC3)C)C[C@@H](O)C(=O)C4)C
• InChI: 1S/C27H42O6/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/h12,15-17,19-20,22,28,30,32-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20?,22+,25+,26+,27?/m0/s1
• InChIKey: YFZGVPBGGOOZPB-VZILBXHNSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 648.692°C at 760 mmHg (Cal.)
• Flash point: 360.112°C (Cal.)