[2-[(11S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Dihydrogen Phosphate
[CAS# 3863-59-0]

Identification

• Name: [2-[(11S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Dihydrogen Phosphate
• Synonyms: [2-[(17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Dihydrogen Phosphate; [2-[(11S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Dihydrogen Phosphate; [2-[(17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Dihydrogen Phosphate
• Molecular Formula: C₂₁H₃₁O₈P
• Molecular Weight: 442.44
• CAS Registry Number: 3863-59-0
• EINECS: 223-382-2
• SMILES: [C@@]4(O)(C3(C(C2C(C1(C(=CC(=O)CC1)CC2)C)C(O)C3)CC4)C)C(=O)CO[P](=O)(O)O
• InChI: 1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14?,15?,16?,18?,19?,20?,21-/m0/s1
• InChIKey: BGSOJVFOEQLVMH-OXPLYMOZSA-N

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 669.866°C at 760 mmHg (Cal.)
• Flash point: 358.922°C (Cal.)