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Substance Name: 8-O-Linoleoyl-14-anisoylaconine
RN: 134267-49-5
InChIKey: JFKIYDBTLDAXBY-VLDVYECUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H77-N-O12

Molecular Weight

  • 896.1643
 
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Names and Synonyms

Results Name

  • 8-O-Linoleoyl-14-anisoylaconine

Synonyms

  • 8-O-Linoleoyl-14-anisoylaconine
  • BRN 4778654

Systematic Names

  • Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-(4-methoxybenzoate) 8-(9,12-octadecadienaote), (1alpha,3alpha,6alpha,8(9Z,12Z),14alpha,15alpha,16beta)-
  • Aconitane-3,8,13,14,15-pentol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 14-(4-methoxybenzoate-8-(9,12-octadecadienoate), (1-alpha,3-alpha,6-alpha,8(9Z,12Z),14-alpha,15-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 134267-49-5

System Generated Number

  • 0134267495

Structure Descriptors

InChI

1S/C51H77NO12/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-38(54)64-51-39-35(30-49(57,46(62-7)44(51)55)45(39)63-47(56)33-25-27-34(59-4)28-26-33)50-37(60-5)29-36(53)48(32-58-3)31-52(9-2)43(50)40(51)41(61-6)42(48)50/h13-14,16-17,25-28,35-37,39-46,53,55,57H,8-12,15,18-24,29-32H2,1-7H3/b14-13+,17-16+

InChIKey

JFKIYDBTLDAXBY-VLDVYECUSA-N

Smiles

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC12C3C(CC(C3OC(=O)c4ccc(cc4)OC)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)CC)OC)COC)O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 100mg/kg (100mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 39, Pg. 379, 1991.