beta-Solamarine
[CAS# 3671-38-3]

Identification

• Name: beta-Solamarine
• Synonyms: Nsc94735; Solamarin, Beta
• Molecular Formula: C₄₅H₇₃NO₁₅
• Molecular Weight: 868.07
• CAS Registry Number: 3671-38-3
• SMILES: [C@@H]9(CC[C@@]1(O[C@@H]8[C@H]([C@@H]1C)[C@]7(CC[C@@H]6[C@]5(CC[C@H](OC3OC(C(OC2OC(C(C(C2O)O)O)C)C(C3OC4OC(C(C(C4O)O)O)C)O)CO)CC5=CC[C@H]6[C@@H]7C8)C)C)NC9)C
• InChI: 1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21?,22?,24-,25+,26-,27-,28-,29?,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43-,44-,45-/m0/s1
• InChIKey: MBWUSSKCCUMJHO-GZRKDDAFSA-N

Properties

• Density: 1.388g/cm³ (Cal.)