(3beta,16beta,25beta)-16,25-dihydroxy-28-methyl-16,28-secosolanid-5-en-3-yl beta-D-Glucopyranoside
[CAS# 131984-90-2]

Identification

• Name: (3beta,16beta,25beta)-16,25-dihydroxy-28-methyl-16,28-secosolanid-5-en-3-yl beta-D-Glucopyranoside
• Synonyms: (2R,3R,4S,5S,6R)-2-[[(8S,10R,13S,14S,16R,17R)-16-Hydroxy-17-[(1S)-1-[(2R)-5-Hydroxy-1,5-Dimethyl-2-Piperidyl]Ethyl]-10,13-Dimethyl-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; (2R,3R,4S,5S,6R)-2-[[(8S,10R,13S,14S,16R,17R)-16-Hydroxy-17-[(1S)-1-[(2R)-5-Hydroxy-1,5-Dimethyl-2-Piperidinyl]Ethyl]-10,13-Dimethyl-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; (2R,3R,4S,5S,6R)-2-[[(8S,10R,13S,14S,16R,17R)-16-Hydroxy-17-[(1S)-1-[(2R)-5-Hydroxy-1,5-Dimethyl-2-Piperidyl]Ethyl]-10,13-Dimethyl-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: C₃₄H₅₇NO₈
• Molecular Weight: 607.83
• CAS Registry Number: 131984-90-2
• SMILES: [C@H]13[C@@]([C@H]([C@H](O)C1)[C@@H]([C@@H]2N(CC(O)(CC2)C)C)C)(CCC4[C@H]3CC=C6[C@@]4(CCC(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C6)C)C
• InChI: 1S/C34H57NO8/c1-18(24-10-11-32(2,41)17-35(24)5)27-25(37)15-23-21-7-6-19-14-20(8-12-33(19,3)22(21)9-13-34(23,27)4)42-31-30(40)29(39)28(38)26(16-36)43-31/h6,18,20-31,36-41H,7-17H2,1-5H3/t18-,20?,21-,22?,23+,24-,25-,26-,27+,28-,29+,30-,31-,32?,33+,34+/m1/s1
• InChIKey: CXACCEOTKMZDPQ-YCZVTURLSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 739.511°C at 760 mmHg (Cal.)
• Flash point: 401.042°C (Cal.)