[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5R,6S)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-1-Yl] Acetate
[CAS# 32062-05-8]

Identification

• Name: [(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5R,6S)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-1-Yl] Acetate
• Molecular Formula: C₃₂H₄₈O₁₀
• Molecular Weight: 592.72
• CAS Registry Number: 32062-05-8
• SMILES: O=C\1OC/C(=C/1)[C@H]6CC[C@@]5(O)[C@]6(C)CC[C@H]3[C@H]5CC[C@@H]4C[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)C[C@@H](OC(C)=O)[C@]34C
• InChI: 1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-13-19-6-7-23-22(31(19,4)24(14-20)41-17(2)33)8-10-30(3)21(9-11-32(23,30)37)18-12-25(34)39-15-18/h12,16,19-24,26-29,35-37H,6-11,13-15H2,1-5H3/t16-,19+,20+,21+,22-,23+,24+,26+,27+,28+,29-,30+,31-,32-/m0/s1
• InChIKey: NTCQLIABTKPIND-ALQIMMJZSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 734.23°C at 760 mmHg (Cal.)
• Flash point: 231.137°C (Cal.)