4-[(3S,5R,8R,9S,10S,13R,16S,17R)-14,16-Dihydroxy-10,13-Dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-5H-Furan-2-One
[CAS# 32077-87-5]

Identification

• Name: 4-[(3S,5R,8R,9S,10S,13R,16S,17R)-14,16-Dihydroxy-10,13-Dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-5H-Furan-2-One
• Synonyms: 4-[(3S,5R,8R,9S,10S,13R,16S,17R)-14,16-Dihydroxy-10,13-Dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5R,8R,9S,10S,13R,16S,17R)-14,16-Dihydroxy-10,13-Dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5R,8R,9S,10S,13R,16S,17R)-14,16-Dihydroxy-10,13-Dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₂₉H₄₄O₁₀
• Molecular Weight: 552.66
• CAS Registry Number: 32077-87-5
• SMILES: [C@H]34C1(O)[C@@]([C@H]([C@@H](O)C1)C2=CC(OC2)=O)(CC[C@@H]3[C@@]6([C@H](CC4)C[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CC6)C)C
• InChI: 1S/C29H44O10/c1-27-7-5-16(38-26-25(35)24(34)23(33)20(12-30)39-26)10-15(27)3-4-18-17(27)6-8-28(2)22(14-9-21(32)37-13-14)19(31)11-29(18,28)36/h9,15-20,22-26,30-31,33-36H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,20-,22+,23-,24+,25-,26-,27+,28-,29?/m1/s1
• InChIKey: IUJWXPVDZQGUQU-HPKTWBGSSA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 772.59°C at 760 mmHg (Cal.)
• Flash point: 251.801°C (Cal.)