Hederacoside C
[CAS# 27013-76-9]

Identification

• Name: Hederacoside C
• Synonyms: 1-[[8A-Carboxy-4-(Hydroxymethyl)-4,6A,6B,11,11,14B-Hexamethyl-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl]Oxy]-2,4,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,24,26,28-Henicosahydroxy-Nonacosan-5-Olate; 1-[(8A-Carboxy-4,6A,6B,11,11,14B-Hexamethyl-4-Methylol-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl)Oxy]-2,4,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,24,26,28-Henicosahydroxy-Nonacosan-5-Olate; Hederasaponine C [French]
• Molecular Formula: C₅₉H₁₀₅O₂₆
• Molecular Weight: 1230.46
• CAS Registry Number: 27013-76-9
• SMILES: C(O)C5(C4C(C1C(C2(C(=CC1)C3C(CC2)(C(=O)O)CCC(C3)(C)C)C)(CC4)C)(CCC5OCC(O)CC(O)C([O-])C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)CC(O)CC(O)CC(O)CC(O)C)C)C
• InChI: 1S/C59H105O26/c1-26(61)18-27(62)19-28(63)20-29(64)21-33(66)38(68)40(70)42(72)44(74)46(76)48(78)50(80)52(82)51(81)49(79)47(77)45(75)43(73)41(71)39(69)34(67)22-30(65)24-85-37-11-12-55(4)35(56(37,5)25-60)10-13-58(7)36(55)9-8-31-32-23-54(2,3)14-16-59(32,53(83)84)17-15-57(31,58)6/h8,26-30,32-52,60-68,70-82H,9-25H2,1-7H3,(H,83,84)/q-1
• InChIKey: IFJAJFCNDQNDIM-UHFFFAOYSA-N

Properties

• Boiling point: 1355.961°C at 760 mmHg (Cal.)
• Flash point: 361.936°C (Cal.)