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Substance Name: Gnidilatidin
RN: 60195-70-2
InChIKey: CGSGRJNIABXQJQ-CAAOHEDASA-N

Note

  • From Daphne genkwa.

Classification Code

  • Mutation Data

Molecular Formula

  • C37-H44-O10

Molecular Weight

  • 648.745
 
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Names and Synonyms

Name of Substance

  • Gnidilatidin
  • Yuanhuacin

Synonyms

  • Gnidilatidin
  • Odoracin
  • Stillingia factor S(sub 6)
  • Yuanhuacin
  • Yuanhuacine
  • Yuanhuacium ester A
  • Yuanhuatie

Systematic Name

  • Simplexin, 12-(benzoyloxy)-22,23,24,25-tetradehydro-, (12-beta,22E,24E)-

Registry Numbers

CAS Registry Number

  • 60195-70-2

Other Registry Numbers

  • 61913-72-2
  • 66673-22-1

System Generated Number

  • 0060195702

Structure Descriptors

InChI

1S/C37H44O10/c1-6-7-8-9-10-11-15-18-34-45-30-26-29-33(20-38,44-29)32(41)35(42)25(19-22(4)27(35)39)37(26,47-34)23(5)28(36(30,46-34)21(2)3)43-31(40)24-16-13-12-14-17-24/h10-19,23,25-26,28-30,32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25-,26+,28-,29+,30-,32-,33+,34?,35-,36+,37+/m1/s1

InChIKey

CGSGRJNIABXQJQ-CAAOHEDASA-N

Smiles

c1(ccccc1)C(O[C@H]1[C@@]2([C@H]3[C@H]4[C@@]([C@@H]1C)(O[C@@](O3)(O2)\C=C\C=C\CCCCC)[C@H]1[C@@](O)(C(=O)C(C)=C1)[C@H](O)[C@@]1([C@@H]4O1)CO)C(=C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1700ug/kg (1.7mg/kg)   Shengzhi Yu Biyun. Reproduction and Contraception. Vol. 9(2), Pg. 48, 1989.