2-Deoxyecdysone-22-Phosphate
[CAS# 82183-63-9]

Identification

• Name: 2-Deoxyecdysone-22-Phosphate
• Synonyms: [(1R)-1-[(1S)-1-[(3S,5R,9R,10R,13R,17R)-3,14-Dihydroxy-10,13-Dimethyl-6-Oxo-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl]-4-Hydroxy-4-Methyl-Pentyl] Dihydrogen Phosphate; [(1R)-1-[(1S)-1-[(3S,5R,9R,10R,13R,17R)-3,14-Dihydroxy-10,13-Dimethyl-6-Oxo-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl]-4-Hydroxy-4-Methylpentyl] Dihydrogen Phosphate; [(1R)-1-[(1S)-1-[(3S,5R,9R,10R,13R,17R)-3,14-Dihydroxy-6-Keto-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl]-4-Hydroxy-4-Methyl-Pentyl] Dihydrogen Phosphate
• Molecular Formula: C₂₇H₄₅O₈P
• Molecular Weight: 528.62
• CAS Registry Number: 82183-63-9
• SMILES: [C@]24(C(O)(C1=CC(=O)[C@H]3[C@@]([C@H]1CC2)(CC[C@H](O)C3)C)CC[C@@H]4[C@@H]([C@H](O[P](=O)(O)O)CCC(O)(C)C)C)C
• InChI: 1S/C27H45O8P/c1-16(23(35-36(32,33)34)9-10-24(2,3)30)18-8-13-27(31)20-15-22(29)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21,23,28,30-31H,6-14H2,1-5H3,(H2,32,33,34)/t16-,17-,18+,19-,21-,23+,25+,26+,27?/m0/s1
• InChIKey: AOKIBCRWTSJHIE-RDTYFAGCSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 711.129°C at 760 mmHg (Cal.)
• Flash point: 383.877°C (Cal.)