Ecdysone 25-O-glucopyranoside
[CAS# 112172-82-4]

Identification

• Name: Ecdysone 25-O-glucopyranoside
• Synonyms: (2S,3S,5R,9R,10R,13R,17R)-2,3,14-Trihydroxy-17-[(1S)-2-Hydroxy-1,5-Dimethyl-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Hexyl]-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One; (2S,3S,5R,9R,10R,13R,17R)-2,3,14-Trihydroxy-17-[(1S)-2-Hydroxy-1,5-Dimethyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Hexyl]-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One; (2S,3S,5R,9R,10R,13R,17R)-2,3,14-Trihydroxy-17-[(1S)-2-Hydroxy-1,5-Dimethyl-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Hexyl]-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One
• Molecular Formula: C₃₃H₅₄O₁₁
• Molecular Weight: 626.78
• CAS Registry Number: 112172-82-4
• SMILES: [C@@H]14[C@@]5([C@H](C(=O)C=C1C2(O)[C@@]([C@H](CC2)[C@@H](C(O)CCC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)(C)C)C)(CC4)C)C[C@H](O)[C@@H](O)C5)C
• InChI: 1S/C33H54O11/c1-16(21(35)8-9-30(2,3)44-29-28(41)27(40)26(39)25(15-34)43-29)17-7-11-33(42)19-12-22(36)20-13-23(37)24(38)14-31(20,4)18(19)6-10-32(17,33)5/h12,16-18,20-21,23-29,34-35,37-42H,6-11,13-15H2,1-5H3/t16-,17+,18-,20-,21?,23-,24-,25+,26+,27-,28+,29-,31+,32+,33?/m0/s1
• InChIKey: YJBCWBWOULRKGL-DGSLDROASA-N

Properties

• Density: 1.356g/cm³ (Cal.)
• Boiling point: 806.975°C at 760 mmHg (Cal.)
• Flash point: 251.298°C (Cal.)