1,3,5[10]-Estratriene-3,16alpha,17beta-Trihydroxy 17-Glucuronide
[CAS# 7219-89-8]

Identification

• Name: 1,3,5[10]-Estratriene-3,16alpha,17beta-Trihydroxy 17-Glucuronide
• Synonyms: (2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,16-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylate; (2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,16-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylate; (2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,16-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Oxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylate
• Molecular Formula: C₂₄H₃₁O₉
• Molecular Weight: 463.50
• CAS Registry Number: 7219-89-8
• SMILES: [C@]14([C@H]([C@H]2[C@H](CC1)C3=C(CC2)C=C(O)C=C3)C[C@@H](O)[C@@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C([O-])=O)C
• InChI: 1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/p-1/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23+,24+/m1/s1
• InChIKey: CZGFLAQOJPXVRV-FLVROIOLSA-M

Properties

• Boiling point: 738.258°C at 760 mmHg (Cal.)
• Flash point: 253.531°C (Cal.)