Chikusetsusaponin III
[CAS# 29845-71-4]

Identification

• Name: Chikusetsusaponin III
• Synonyms: Chikusetsusaponin III; BRN 1418337
• Molecular Formula: C₄₇H₈₀O₁₇
• Molecular Weight: 917.13
• CAS Registry Number: 29845-71-4
• SMILES: O7[C@@H](O[C@@]2(O[C@@H]([C@@H](O)[C@H](O)[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO)C5CC[C@]4(C)C6C[C@H](O)C3[C@@H]([C@](O)(C)CC\C=C(/C)C)CC[C@]3(C)C6CC(C)C4C5(C)C)[C@H](O)[C@@H](O)[C@H](O)C7
• InChI: 1S/C47H80O17/c1-21(2)10-9-13-46(8,59)23-11-14-44(6)24-16-22(3)39-43(4,5)30(12-15-45(39,7)25(24)17-26(50)31(23)44)47(64-41-37(57)32(52)27(51)20-60-41)40(36(56)34(54)29(19-49)63-47)62-42-38(58)35(55)33(53)28(18-48)61-42/h10,22-42,48-59H,9,11-20H2,1-8H3/t22?,23-,24?,25?,26-,27+,28+,29+,30?,31?,32-,33+,34+,35-,36-,37+,38+,39?,40+,41-,42-,44+,45+,46-,47-/m0/s1
• InChIKey: LRAHEMDGLNXPKE-KBNHJXMZSA-N

Properties

• Density: 1.381g/cm³ (Cal.)
• Boiling point: 1004.825°C at 760 mmHg (Cal.)
• Flash point: 561.498°C (Cal.)
• Refractive index: 1.615 (Cal.)