
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 27013-76-9 |
| Catalog No. | 2A-0202655 |
| Chinese Name | Hederasaponin C |
| Synonyms | Hederasaponine C [French]; Hederasaponine C; Hederasaponin C |
| Molecular Formula | C59H105O26- |
| Molecular Weight | 1230.45 |
| Boiling Point | 1356ºC at 760 mmHg |
| Melting Point | 222ºC (dec.)(lit.) |
| SMILES | CC(O)CC(O)CC(O)CC(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)COC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)CO |
| InChI | 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 |
| InChI Key | IFJAJFCNDQNDIM-UHFFFAOYSA-N |
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