Chlormadinol acetate-3-O-alpha-arabinofuranoside
[CAS# 129990-43-8]

Identification

• Name: Chlormadinol acetate-3-O-alpha-arabinofuranoside
• Synonyms: [(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-3-[(2R,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-10,13-Dimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-3-[[(2R,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-10,13-Dimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-3-[(2R,3R,4R,5S)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Oxy-10,13-Dimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₈H₄₀O₈
• Molecular Weight: 504.62
• CAS Registry Number: 129990-43-8
• SMILES: [C@H]45[C@H]3[C@@H]([C@@]2(C(=C[C@@H](O[C@@H]1O[C@H]([C@H](O)[C@H]1O)CO)CC2)C=C3)C)CC[C@@]4([C@](OC(=O)C)(CC5)C(=O)C)C
• InChI: 1S/C28H40O8/c1-15(30)28(36-16(2)31)12-9-21-19-6-5-17-13-18(34-25-24(33)23(32)22(14-29)35-25)7-10-26(17,3)20(19)8-11-27(21,28)4/h5-6,13,18-25,29,32-33H,7-12,14H2,1-4H3/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27-,28-/m0/s1
• InChIKey: DBJOUOZKGVPNLE-HQNOGBBKSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 665.877°C at 760 mmHg (Cal.)
• Flash point: 216.796°C (Cal.)