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Substance Name: Hederasaponin C
RN: 27013-76-9
InChIKey: IFJAJFCNDQNDIM-UHFFFAOYSA-N

Molecular Formula

  • C59-H105-O26

Molecular Weight

  • 1230.4525
 
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Names and Synonyms

Synonyms

  • Hederasaponin C
  • Hederasaponine C
  • Hederasaponine C [French]
  • NSC 104796

Systematic Name

  • Hederasaponin C

Registry Numbers

CAS Registry Number

  • 27013-76-9

System Generated Number

  • 0027013769

Structure Descriptors

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

Smiles

CC(CC(CC(CC(CC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(CC(COC1CCC2(C(C1(C)CO)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C)O)O)[O-])O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2300mg/kg (2300mg/kg)   Annales Pharmaceutiques Francaises. Vol. 38, Pg. 545, 1980.
mouse LD50 oral > 4gm/kg (4000mg/kg)   Annales Pharmaceutiques Francaises. Vol. 38, Pg. 545, 1980.