Paravallarinol
[CAS# 17083-11-3]

Identification

• Name: Paravallarinol
• Synonyms: (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-10-Methyl-3-Methylamino-13-Methylol-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethanol; Pregn-5-Ene-18,20-Alpha-Diol, 3-Beta-(Methylamino)-; Pregn-5-Ene-18,20-Diol, 3-(Methylamino)-, (3-Beta,20S)-
• Molecular Formula: C₂₂H₃₇NO₂
• Molecular Weight: 347.54
• CAS Registry Number: 17083-11-3
• SMILES: [C@@H]4([C@H](C)O)[C@@]3([C@H]([C@@H]2CC=C1C[C@H](CC[C@@]1([C@H]2CC3)C)NC)CC4)CO
• InChI: 1S/C22H37NO2/c1-14(25)18-6-7-20-17-5-4-15-12-16(23-3)8-10-21(15,2)19(17)9-11-22(18,20)13-24/h4,14,16-20,23-25H,5-13H2,1-3H3/t14-,16-,17+,18+,19-,20-,21-,22-/m0/s1
• InChIKey: JASSGIGGJMGBFO-QLPKIABKSA-N

Properties

• Density: 1.104g/cm³ (Cal.)
• Boiling point: 485.174°C at 760 mmHg (Cal.)
• Flash point: 86.84°C (Cal.)