Plicatic acid

CAS Registry Number®

16462-65-0
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CAS Name

Plicatic acid

Molecular Formula

C20H22O10

Molecular Mass

422.38

Cite this Page

Plicatic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16462-65-0 (retrieved 2024-02-21) (CAS RN: 16462-65-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H22O10/c1-29-14-5-10-7-19(27,8-21)20(28,18(25)26)16(11(10)6-12(14)22)9-3-13(23)17(24)15(4-9)30-2/h3-6,16,21-24,27-28H,7-8H2,1-2H3,(H,25,26)/t16-,19+,20+/m0/s1

InChIKey

InChIKey=PGFBYAIGHPJFFJ-PWIZWCRZSA-N

SMILES

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

Canonical SMILES

O=C(O)C1(O)C(C2=CC(O)=C(O)C(OC)=C2)C3=CC(O)=C(OC)C=C3CC1(O)CO

Other Names for this Substance

  • 2-Naphthalenecarboxylic acid, 1-(3,4-dihydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-, (1S,2S,3R)-
  • Plicatic acid
  • 2-Naphthoic acid, 1-(3,4-dihydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-, (1S,2S,3R)-
  • 2-Naphthalenecarboxylic acid, 1-(3,4-dihydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-, [1S-(1α,2α,3β)]-
  • (1S,2S,3R)-1-(3,4-Dihydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-2-naphthalenecarboxylic acid

Deleted or Replaced CAS Registry Numbers

32667-47-3

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