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Substance Name: 2-Propenoic acid, 3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl ester
RN: 70495-54-4
InChIKey: ZFPAYOGHSALADL-AVRCVIBKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C53-H84-O2

Molecular Weight

  • 753.2446
 
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Names and Synonyms

Synonym

  • 3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl acrylate

Systematic Name

  • 2-Propenoic acid, 3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl ester

Registry Numbers

CAS Registry Number

  • 70495-54-4

System Generated Number

  • 0070495544

Structure Descriptors

InChI

1S/C53H84O2/c1-13-53(54)55-42-41-52(12)40-22-39-51(11)38-21-37-50(10)36-20-35-49(9)34-19-33-48(8)32-18-31-47(7)30-17-29-46(6)28-16-27-45(5)26-15-25-44(4)24-14-23-43(2)3/h13,23,25,27,29,31,33,35,37,39,41H,1,14-22,24,26,28,30,32,34,36,38,40,42H2,2-12H3/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+

InChIKey

ZFPAYOGHSALADL-AVRCVIBKSA-N

Smiles

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COC(=O)C=C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4199587,