Guaiacin

CAS Registry Number®

36531-08-5
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CAS Name

Guaiacin

Molecular Formula

C20H24O4

Molecular Mass

328.40

Cite this Page

Guaiacin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36531-08-5 (retrieved 2024-07-05) (CAS RN: 36531-08-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H24O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-6,8-12,20-22H,7H2,1-4H3/t11-,12+,20+/m1/s1

InChIKey

InChIKey=TZAAYUCUPIYQBR-JGRMJRGVSA-N

SMILES

C[C@@H]1[C@H](C=2C(=CC(OC)=C(O)C2)C[C@H]1C)C3=CC(OC)=C(O)C=C3

Canonical SMILES

OC1=CC=C(C=C1OC)C2C3=CC(O)=C(OC)C=C3CC(C)C2C

Other Names for this Substance

  • 2-Naphthalenol, 5,6,7,8-tetrahydro-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-, (6R,7S,8S)-
  • 2-Naphthalenol, 5,6,7,8-tetrahydro-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-, [6R-(6α,7β,8α)]-
  • Guaiacin
  • (6R,7S,8S)-5,6,7,8-Tetrahydro-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-2-naphthalenol
  • (+)-Guaiacin

Deleted or Replaced CAS Registry Numbers

1391-83-9