(3beta,22alpha,25R)-Spirosol-5-En-3-Yl O-beta-D-Xylopyranosyl-(1-3)-O-(O-beta-D-Xylopyranosyl-(1-4)-6-Deoxy-L-Mannopyranosyl-(1-4))-beta-D-Glucopyranoside
[CAS# 128585-03-5]

Identification

• Name: (3beta,22alpha,25R)-Spirosol-5-En-3-Yl O-beta-D-Xylopyranosyl-(1-3)-O-(O-beta-D-Xylopyranosyl-(1-4)-6-Deoxy-L-Mannopyranosyl-(1-4))-beta-D-Glucopyranoside
• Synonyms: Incanumine; O(3)-(Beta-Xylopyranosyl-(1-3(Glu))-(Beta-Xylopyranosyl-(1-4)-Alpha-Rhamnopyranosyl-(1-4(Glu)))-Beta-Glucopyranosyl)-Solasodine; Beta-D-Glucopyranoside, (3Beta,22Alpha,25R)-Spirosol-5-En-3-Yl O-Beta-D-Xylopyranosyl-(1-3)-O-(O-Beta-D-Xylopyranosyl-(1-4)-6-Deoxy-Alpha-L-Mannopyranosyl-(1-4))-
• Molecular Formula: C₄₉H₇₉NO₁₉
• Molecular Weight: 986.16
• CAS Registry Number: 128585-03-5
• SMILES: C(O)C8OC(OC6CC5=CCC4C3C(C2C(OC1(NCC(CC1)C)C2C)C3)(CCC4C5(CC6)C)C)C(O)C(OC7OCC(O)C(O)C7O)C8OC%10OC(C(OC9OCC(O)C(O)C9O)C(O)C%10O)C
• InChI: 1S/C49H79NO19/c1-20-8-13-49(50-16-20)21(2)32-30(69-49)15-27-25-7-6-23-14-24(9-11-47(23,4)26(25)10-12-48(27,32)5)64-46-39(60)42(68-44-37(58)34(55)29(53)19-62-44)41(31(17-51)65-46)67-45-38(59)35(56)40(22(3)63-45)66-43-36(57)33(54)28(52)18-61-43/h6,20-22,24-46,50-60H,7-19H2,1-5H3
• InChIKey: JUIQDBJRSFBVFU-UHFFFAOYSA-N

Properties

• Density: 1.454g/cm³ (Cal.)