4-[(3S,5R,8R,9S,10S,13R,17R)-3-[(2R,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-5H-Furan-2-One
[CAS# 78614-49-0]

Identification

• Name: 4-[(3S,5R,8R,9S,10S,13R,17R)-3-[(2R,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-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,17R)-3-[(2R,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-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,17R)-3-[[(2R,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-14-Hydroxy-10,13-Dimethyl-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,17R)-3-[(2R,3R,4R,5S)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-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: C₂₈H₄₂O₈
• Molecular Weight: 506.64
• CAS Registry Number: 78614-49-0
• SMILES: [C@H]14[C@@H]([C@@]3([C@H](CC1)C[C@@H](O[C@@H]2O[C@H]([C@H](O)[C@H]2O)CO)CC3)C)CC[C@]5(C4(O)CC[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C28H42O8/c1-26-8-5-17(35-25-24(32)23(31)21(13-29)36-25)12-16(26)3-4-20-19(26)6-9-27(2)18(7-10-28(20,27)33)15-11-22(30)34-14-15/h11,16-21,23-25,29,31-33H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21+,23+,24-,25-,26+,27-,28?/m1/s1
• InChIKey: VFQLNJQAASSPQR-IOPHKGALSA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 709.497°C at 760 mmHg (Cal.)
• Flash point: 233.566°C (Cal.)