beta2-Chaconine
[CAS# 469-14-7]

Identification

• Name: beta2-Chaconine
• Synonyms: Beta-D-Glucopyranoside, (3-Beta)-Solanid-5-En-3-Yl 4-O-(6-Deoxy-Alpha-L-Mannopyranosyl)-; Beta2-Chaconine
• Molecular Formula: C₃₉H₆₃NO₁₀
• Molecular Weight: 705.93
• CAS Registry Number: 469-14-7
• SMILES: [C@H]8(OC6CC[C@]4(C(=CC[C@H]5[C@@H]3C[C@@H]2N1C[C@@H](C)CC[C@@H]1[C@@H](C)[C@@H]2[C@@]3(C)CCC45)C6)C)[C@H](O)[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@@H](O7)C)[C@H](O8)CO
• 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)48-37-34(46)32(44)35(28(17-41)49-37)50-36-33(45)31(43)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: IBVPROGUDFDQRN-PZFYPTLZSA-N

Properties

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