Estrone Glucoside
[CAS# 25591-03-1]

Identification

• Name: Estrone Glucoside
• Synonyms: (8R,9S,13S,14S)-13-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-One; (8R,9S,13S,14S)-13-Methyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-One; (8R,9S,13S,14S)-13-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-One
• Molecular Formula: C₂₄H₃₂O₇
• Molecular Weight: 432.51
• CAS Registry Number: 25591-03-1
• SMILES: [C@H]23[C@H]1[C@@](C(=O)CC1)(CC[C@@H]2C5=C(CC3)C=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C=C5)C
• InChI: 1S/C24H32O7/c1-24-9-8-15-14-5-3-13(30-23-22(29)21(28)20(27)18(11-25)31-23)10-12(14)2-4-16(15)17(24)6-7-19(24)26/h3,5,10,15-18,20-23,25,27-29H,2,4,6-9,11H2,1H3/t15-,16-,17+,18-,20-,21+,22-,23-,24+/m1/s1
• InChIKey: VYFHMFCXSCMXHA-QVOCEEOWSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 662.736°C at 760 mmHg (Cal.)
• Flash point: 227.799°C (Cal.)