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Substance Name: Veracevine, 3-pivaloyl-
RN: 136060-42-9
InChIKey: YXZYSSJOMYQXCB-UKSMDRKXSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C31-H49-N-O9

Molecular Weight

  • 593.7529
 
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Names and Synonyms

Results Name

  • Veracevine, 3-pivaloyl-

Synonym

  • Veracevine, 3-pivaloyl-

Systematic Name

  • Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(3,2-dimethylpropanoate), (3-beta,4-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 136060-42-9

System Generated Number

  • 0136060429

Structure Descriptors

InChI

1S/C32H51NO9/c1-17-7-10-21-27(6,36)31(39)20(15-33(21)14-17)29(38)16-30-19(28(29,37)13-22(31)34)9-8-18-26(30,5)12-11-23(32(18,40)42-30)41-24(35)25(2,3)4/h17-23,34,36-40H,7-16H2,1-6H3/t17-,18?,19-,20-,21-,22-,23-,26-,27+,28?,29?,30?,31?,32-/m0/s1

InChIKey

YXZYSSJOMYQXCB-UKSMDRKXSA-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)C(C)(C)C)O)C)O)O)O)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 8300ug/kg (8.3mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 39, Pg. 1875, 1991.