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Substance Name: Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(3,5-dimethoxybenzoate), (3-beta,4-alpha,16-beta)-
RN: 136060-11-2
InChIKey: MODKRPNNWKWXQU-VLNWUIJBSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C36-H51-N-O11

Molecular Weight

  • 673.7949
 
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Names and Synonyms

Synonyms

  • 3-(3,5-Dimethoxybenzoyl)veracevine
  • Veracevine, 3-(3,5-dimethoxybenzoate)-

Systematic Name

  • Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(3,5-dimethoxybenzoate), (3-beta,4-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 136060-11-2

System Generated Number

  • 0136060112

Structure Descriptors

InChI

1S/C36H51NO11/c1-19-6-9-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)8-7-23-30(34,2)11-10-28(36(23,44)48-34)47-29(39)20-12-21(45-4)14-22(13-20)46-5/h12-14,19,23-28,38,40-44H,6-11,15-18H2,1-5H3/t19-,23?,24-,25-,26-,27-,28-,30-,31+,32?,33?,34?,35?,36-/m0/s1

InChIKey

MODKRPNNWKWXQU-VLNWUIJBSA-N

Smiles

C[C@H]1CC[C@H]2[C@@](C3([C@H](CC4([C@@H]5CCC6[C@]7(C5(CC4([C@@H]3CN2C1)O)O[C@@]6([C@H](CC7)OC(=O)c8cc(cc(c8)OC)OC)O)C)O)O)O)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 7500ug/kg (7.5mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 39, Pg. 1875, 1991.