(3R,4S,5S,6R)-2-[[(8S,9S,10R,13S,14S,17R)-16-Hydroxy-10,13-Dimethyl-17-[(1S)-1-(5-Methylpiperidin-2-Yl)Ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl]Oxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 123164-25-0]

Identification

• Name: (3R,4S,5S,6R)-2-[[(8S,9S,10R,13S,14S,17R)-16-Hydroxy-10,13-Dimethyl-17-[(1S)-1-(5-Methylpiperidin-2-Yl)Ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl]Oxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: (3R,4S,5S,6R)-2-[[(8S,9S,10R,13S,14S,17R)-16-Hydroxy-10,13-Dimethyl-17-[(1S)-1-(5-Methyl-2-Piperidyl)Ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (3R,4S,5S,6R)-2-[[(8S,9S,10R,13S,14S,17R)-16-Hydroxy-10,13-Dimethyl-17-[(1S)-1-(5-Methyl-2-Piperidinyl)Ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (3R,4S,5S,6R)-2-[[(8S,9S,10R,13S,14S,17R)-16-Hydroxy-10,13-Dimethyl-17-[(1S)-1-(5-Methyl-2-Piperidyl)Ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₃₃H₅₅NO₇
• Molecular Weight: 577.80
• CAS Registry Number: 123164-25-0
• SMILES: [C@H]34[C@H]1[C@@]([C@H](C(O)C1)[C@@H](C2NCC(CC2)C)C)(CC[C@@H]3[C@@]6(C(=CC4)CC(OC5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CC6)C)C
• InChI: 1S/C33H55NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-31,34-39H,5,7-16H2,1-4H3/t17?,18-,20?,21-,22+,23+,24?,25?,26-,27+,28-,29+,30-,31?,32+,33+/m1/s1
• InChIKey: LXITVHCOOLDNBB-ATEWJWJNSA-N