[(3S,6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6,10,13-Trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,2,3,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 144356-81-0]

Identification

• Name: [(3S,6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6,10,13-Trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,2,3,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: [(3S,6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6,10,13-Trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,2,3,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(3S,6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6,10,13-Trimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,2,3,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(3S,6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6,10,13-Trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,2,3,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₃₀H₄₆O₉
• Molecular Weight: 550.69
• CAS Registry Number: 144356-81-0
• 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](O)[C@H]1O)CO)CC2)[C@H](C3)C)C)CC[C@@]4([C@](OC(=O)C)(CC5)C(=O)C)C
• InChI: 1S/C30H46O9/c1-15-12-19-20(7-10-29(5)21(19)8-11-30(29,16(2)32)39-17(3)33)28(4)9-6-18(13-22(15)28)37-27-26(36)25(35)24(34)23(14-31)38-27/h13,15,18-21,23-27,31,34-36H,6-12,14H2,1-5H3/t15-,18-,19+,20-,21-,23+,24+,25-,26+,27+,28+,29-,30-/m0/s1
• InChIKey: GZVYXJLJHZATJE-UGOZLWAQSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 681.366°C at 760 mmHg (Cal.)
• Flash point: 215.621°C (Cal.)