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Substance Name: 14-Hydroxyguai-1,3,5,9,11-pentaene stearate
RN: 52898-98-3
UNII: Q4W0C0YX2Z
InChIKey: JJOMKEHSADWVHT-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Natural Product

Molecular Formula

  • C33-H52-O2

Molecular Weight

  • 480.772
 
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Names and Synonyms

Name of Substance

  • 14-Hydroxyguai-1,3,5,9,11-pentaene stearate

Synonyms

  • 1-(7-Isopropenyl-4-methyl) octadecanoic acid azulenyl methyl ester
  • BRN 2400690
  • CCRIS 3671
  • UNII-Q4W0C0YX2Z

Systematic Names

  • Octadecanoic acid, (6,7-dihydro-4-methyl-7-(1-methylethenyl)-1-azulenyl)methyl ester
  • Sesquiterpene, stearic acid ester

Registry Numbers

CAS Registry Number

  • 52898-98-3

FDA UNII

  • Q4W0C0YX2Z

System Generated Number

  • 0052898983

Structure Descriptors

InChI

1S/C33H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(34)35-26-30-23-24-31-28(4)21-22-29(27(2)3)25-32(30)31/h21,23-25,29H,2,5-20,22,26H2,1,3-4H3

InChIKey

JJOMKEHSADWVHT-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCCCCCCC)(=O)OCC1=CC=C2C(=CC[C@@H](C=C12)C(=C)C)C