Oleacein

CAS Registry Number®

149183-75-5

CAS Name

Oleacein

Molecular Formula

C17H20O6

Molecular Mass

320.34

Cite this Page

Oleacein.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=149183-75-5 (retrieved 2024-11-08) (CAS RN: 149183-75-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2-/t14-/m0/s1

InChIKey

InChIKey=XLPXUPOZUYGVPD-VMPILDALSA-N

SMILES

[C@@H](/C(=C\C)/C=O)(CC(OCCC1=CC(O)=C(O)C=C1)=O)CC=O

Canonical SMILES

O=CC(=CC)C(CC=O)CC(=O)OCCC1=CC=C(O)C(O)=C1

Other Names for this Substance

  • 4-Hexenoic acid, 4-formyl-3-(2-oxoethyl)-, 2-(3,4-dihydroxyphenyl)ethyl ester, (3S,4E)-
  • 4-Hexenoic acid, 4-formyl-3-(2-oxoethyl)-, 2-(3,4-dihydroxyphenyl)ethyl ester, [S-(E)]-
  • Oleacein
  • Oleacin

CAS INSIGHTSTM
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