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Substance Name: Orf 13811
RN: 83796-99-0
InChIKey: CYGFELACLUIGFX-UHFFFAOYSA-L

Molecular Formula

  • C20-H34-O5.1/2Ca

Molecular Weight

  • 747.0294
 
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Names and Synonyms

Name of Substance

  • ORF 13811

Synonyms

  • 4-(5-Hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid
  • Orf-13811

Systematic Name

  • 3,8-Dioxabicyclo(3.2.1)octane-1-acetic acid, 4-(5-hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-, calcium salt (2:1)

Registry Numbers

CAS Registry Number

  • 83796-99-0

System Generated Number

  • 0083796990

Molecular Formulas

Molecular Formula

  • C20-H34-O5.1/2Ca

Molecular Formula Fragments

  • C20-H34-O5
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C20H34O5.Ca/c2*1-14(2)7-8-16(21)15(3)6-5-10-19(4)17-9-11-20(25-17,13-24-19)12-18(22)23;/h2*7,15-17,21H,5-6,8-13H2,1-4H3,(H,22,23);/q;;+2/p-2

InChIKey

CYGFELACLUIGFX-UHFFFAOYSA-L

Smiles

CC(CCCC1(C2CCC(O2)(CO1)CC(=O)[O-])C)C(CC=C(C)C)O.CC(CCCC1(C2CCC(O2)(CO1)CC(=O)[O-])C)C(CC=C(C)C)O.[Ca+2]