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Substance Name: Gitostin
RN: 11003-88-6
InChIKey: QCLOKNWFEAWYLG-WDEDQDJPSA-N

Molecular Formula

  • C42-H66-O19

Molecular Weight

  • 874.9644
 
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Names and Synonyms

Synonyms

  • 4-18-00-02475 (Beilstein Handbook Reference)
  • BRN 0077953

Systematic Name

  • Gitostin

Registry Numbers

CAS Registry Number

  • 11003-88-6

System Generated Number

  • 0011003886

Structure Descriptors

InChI

1S/C42H66O19/c1-17-34(60-38-32(51)30(49)35(25(15-44)59-38)61-37-31(50)29(48)28(47)24(14-43)58-37)36(54-4)33(52)39(56-17)57-20-7-9-40(2)19(12-20)5-6-22-21(40)8-10-41(3)27(18-11-26(46)55-16-18)23(45)13-42(22,41)53/h11,17,19-25,27-39,43-45,47-53H,5-10,12-16H2,1-4H3/t17-,19-,20+,21+,22-,23+,24-,25-,27?,28-,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41-,42+/m1/s1

InChIKey

QCLOKNWFEAWYLG-WDEDQDJPSA-N

Smiles

CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)C([C@@H](O)C[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 1260ug/kg (1.26mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 988, 1962.