[(2S,3R)-6-Hydroxy-6-Methyl-2-[(2S,3R,5R,9R,10R,13R,17R)-2,3,14-Trihydroxy-10,13-Dimethyl-6-Oxo-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Heptan-3-Yl]Oxyphosphonic Acid
[CAS# 82183-62-8]

Identification

• Name: [(2S,3R)-6-Hydroxy-6-Methyl-2-[(2S,3R,5R,9R,10R,13R,17R)-2,3,14-Trihydroxy-10,13-Dimethyl-6-Oxo-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Heptan-3-Yl]Oxyphosphonic Acid
• Synonyms: [(1R)-4-Hydroxy-4-Methyl-1-[(1S)-1-[(2S,3R,5R,9R,10R,13R,17R)-2,3,14-Trihydroxy-10,13-Dimethyl-6-Oxo-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl]Pentyl] Dihydrogen Phosphate; [(1R)-4-Hydroxy-4-Methyl-1-[(1S)-1-[(2S,3R,5R,9R,10R,13R,17R)-2,3,14-Trihydroxy-6-Keto-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl]Pentyl] Dihydrogen Phosphate; Ecdysone-22-Phosphate
• Molecular Formula: C₂₇H₄₅O₉P
• Molecular Weight: 544.62
• CAS Registry Number: 82183-62-8
• SMILES: [C@H]14C(=CC(=O)[C@H]2[C@@]1(C[C@H](O)[C@H](O)C2)C)C3(O)[C@@]([C@H](CC3)[C@@H]([C@H](O[P](=O)(O)O)CCC(O)(C)C)C)(CC4)C
• InChI: 1S/C27H45O9P/c1-15(23(36-37(33,34)35)8-9-24(2,3)31)16-7-11-27(32)18-12-20(28)19-13-21(29)22(30)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19,21-23,29-32H,6-11,13-14H2,1-5H3,(H2,33,34,35)/t15-,16+,17-,19-,21+,22-,23+,25+,26+,27?/m0/s1
• InChIKey: FUMILPJJVXGPIT-KUYAAIFSSA-N

Properties

• Density: 1.339g/cm³ (Cal.)
• Boiling point: 728.038°C at 760 mmHg (Cal.)
• Flash point: 394.103°C (Cal.)