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Substance Name: Cucurbitacine I glucoside
RN: 29803-94-9
InChIKey: LIIOJBIJVPGVGO-JZZAZZIQSA-N

Molecular Formula

  • C36-H52-O12

Molecular Weight

  • 676.795
 
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Names and Synonyms

Results Name

  • Cucurbitacine I glucoside

Synonyms

  • beta-Glucoside de LA cucurbitacine (I)
  • Cucurbitacine-I-glucoside

Systematic Name

  • 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 2-(beta-D-glucopyranosyloxy)-9-methyl-16,20,25-trihydroxy-

Registry Numbers

CAS Registry Number

  • 29803-94-9

Other Registry Numbers

  • 16307-33-8
  • 26260-47-9

System Generated Number

  • 0029803949

Structure Descriptors

InChI

1S/C36H52O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10,14-16H2,1-8H3/b12-11+/t18-,19-,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1

InChIKey

LIIOJBIJVPGVGO-JZZAZZIQSA-N

Smiles

C1(C(=C[C@H]2[C@@]3(C(C[C@@]4([C@H]([C@@H](C[C@@]4([C@@H]3CC=C2C1(C)C)C)O)[C@@](C(\C=C\C(C)(C)O)=O)(C)O)C)=O)C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 650mg/kg (650mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 459, 1969.