beta-Chaconine
[CAS# 472-51-5]

Identification

• Name: beta-Chaconine
• Synonyms: Beta-Chaconine; Beta-D-Glucopyranoside, (3Beta)-Solanid-5-En-3-Yl 2-O-(6-Deoxy-Alpha-L-Mannopyranosyl)-
• Molecular Formula: C₃₉H₆₃NO₁₀
• Molecular Weight: 705.93
• CAS Registry Number: 472-51-5
• SMILES: [C@]38([C@@H]1[C@@H](N2[C@@H]([C@H]1C)CC[C@@H](C2)C)C[C@H]3[C@H]7[C@@H]([C@]6(CC[C@H](O[C@H]4[C@@H]([C@@H](O)[C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H](O)[C@H]([C@@H](O5)C)O)O)CC6=CC7)C)CC8)C
• InChI: 1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1
• InChIKey: ZLSYCIYRYZUJCZ-MTXMLOAPSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 817.622°C at 760 mmHg (Cal.)
• Flash point: 448.281°C (Cal.)