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Substance Name: Gniditrin
RN: 55306-10-0
InChIKey: NEIGQRKMHFDLTK-JXXNAEBBSA-N

Note

  • Antileukemic diterpenoid ester from Gnidia lamprantha.

Molecular Formula

  • C37-H42-O10

Molecular Weight

  • 646.729
 
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Names and Synonyms

Name of Substance

  • Gniditrin

Synonyms

  • Gniditrin
  • NSC 238943

Systematic Name

  • Daphnetoxin, 12-((1-oxo-2,4,6-decatrienyl)oxy)-, (12-beta(2E))-

Registry Numbers

CAS Registry Number

  • 55306-10-0

System Generated Number

  • 0055306100

Structure Descriptors

InChI

1S/C37H42O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-19,23,25,27,29-32,38,41-42H,2,6-7,20H2,1,3-5H3/b9-8+,11-10+,18-15+

InChIKey

NEIGQRKMHFDLTK-JXXNAEBBSA-N

Smiles

CCC\C=C\C=C\C=C\C(O[C@@H]1[C@@H](C)[C@@]23[C@@H]([C@@H]4[C@@]1(O[C@@](O4)(c1ccccc1)O3)C(=C)C)[C@@H]1O[C@@]1([C@@H]([C@@]1([C@@H]2C=C(C1=O)C)O)O)CO)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150ug/kg (0.15mg/kg)   Shengzhi Yu Biyun. Reproduction and Contraception. Vol. 9(2), Pg. 48, 1989.