2-[(17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-Yl)Oxy]Oxane-3,4,5-Triol
[CAS# 134366-08-8]

Identification

• Name: 2-[(17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-Yl)Oxy]Oxane-3,4,5-Triol
• Synonyms: 2-[(17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl)Oxy]Tetrahydropyran-3,4,5-Triol; Beta-D-Xylopyranoside, (17Beta)-17-Hydroxyestra-1,3,5(10)-Trien-3-Yl; 1,3,5(10)-Estratriene-3,17Beta-Diol-3-O-D-Xylopyranoside
• Molecular Formula: C₂₃H₃₂O₆
• Molecular Weight: 404.50
• CAS Registry Number: 134366-08-8
• SMILES: C4=C3C2C(C1C(C(O)CC1)(CC2)C)CCC3=CC(=C4)OC5OCC(O)C(O)C5O
• InChI: 1S/C23H32O6/c1-23-9-8-15-14-5-3-13(29-22-21(27)20(26)18(24)11-28-22)10-12(14)2-4-16(15)17(23)6-7-19(23)25/h3,5,10,15-22,24-27H,2,4,6-9,11H2,1H3
• InChIKey: MTFCFHRFRPNOTN-UHFFFAOYSA-N

Properties

• Density: 1.336g/cm³ (Cal.)
• Boiling point: 615.292°C at 760 mmHg (Cal.)
• Flash point: 325.917°C (Cal.)