[(1R)-4-hydroxy-1-[(1R)-1-hydroxy-1-[(2S,3R,5R,9R,10R,13R,14S,17S)-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]-4-methyl-pentyl] dihydrogen phosphate
[CAS# 86577-97-1]

Identification

• Name: [(1R)-4-hydroxy-1-[(1R)-1-hydroxy-1-[(2S,3R,5R,9R,10R,13R,14S,17S)-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]-4-methyl-pentyl] dihydrogen phosphate
• Synonyms: (22R)-2β,3β,14,20,25-pentahydroxy-6-oxo-5β-cholest-7-en-22-yl dihydrogen phosphate; (2β,3β,5β,22R)-2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl dihydrogen phosphate; 20-hydroxyecdysone 22-phosphate
• Molecular Formula: C₂₇H₄₅O₁₀P
• Molecular Weight: 560.61
• CAS Registry Number: 86577-97-1
• SMILES: CC(C)(O)CC[C@@H](OP(O)(=O)O)[C@](C)(O)[C@H]2CC[C@@]1(O)C/3=C/C(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]\3CC[C@@]12C
• InChI: 1S/C27H45O10P/c1-23(2,31)9-8-22(37-38(34,35)36)26(5,32)21-7-11-27(33)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-33H,6-11,13-14H2,1-5H3,(H2,34,35,36)/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
• InChIKey: VQMWDPXOYFYYKP-YPVLXUMRSA-N

Properties

• Density: 1.389g/cm³ (Cal.)
• Boiling point: 791.419°C at 760 mmHg (Cal.)
• Flash point: 432.435°C (Cal.)