Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)-
RN: 98086-60-3
InChIKey: PDCNPZNDXUXVKI-UHFFFAOYSA-N

Molecular Formula

  • C34-H36-O10

Molecular Weight

  • 604.648
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • Yuanhuatin

Systematic Name

  • Daphnetoxin, 12-(benzoyloxy)-1,2-dihydro-, (12-beta)-

Registry Numbers

CAS Registry Number

  • 98086-60-3

System Generated Number

  • 0098086603

Structure Descriptors

InChI

1S/C34H36O10/c1-17(2)32-25(40-28(37)20-11-7-5-8-12-20)19(4)33-22-15-18(3)24(36)31(22,39)29(38)30(16-35)26(41-30)23(33)27(32)42-34(43-32,44-33)21-13-9-6-10-14-21/h5-14,18-19,22-23,25-27,29,35,38-39H,1,15-16H2,2-4H3

InChIKey

PDCNPZNDXUXVKI-UHFFFAOYSA-N

Smiles

C1([C@@]2([C@@H]([C@@]3([C@@H](O3)[C@@H]3[C@@]4(O[C@@]5(c6ccccc6)O[C@@](C(C)=C)([C@@H]3O5)[C@@H]([C@@H]4C)OC(=O)c3ccccc3)[C@@H]2C[C@@H]1C)CO)O)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2500ug/kg (2.5mg/kg)   Shengzhi Yu Biyun. Reproduction and Contraception. Vol. 9(2), Pg. 48, 1989.