Pinellic acid

CAS Registry Number®

97134-11-7
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CAS Name

Pinellic acid

Molecular Formula

C18H34O5

Molecular Mass

330.46

Cite this Page

Pinellic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97134-11-7 (retrieved 2024-08-04) (CAS RN: 97134-11-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    104-106 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17-/m0/s1

InChIKey

InChIKey=MDIUMSLCYIJBQC-MVFSOIOZSA-N

SMILES

C(\[C@@H]([C@H](CCCCC)O)O)=C/[C@H](CCCCCCCC(O)=O)O

Canonical SMILES

O=C(O)CCCCCCCC(O)C=CC(O)C(O)CCCCC

Other Names for this Substance

  • 10-Octadecenoic acid, 9,12,13-trihydroxy-, (9S,10E,12S,13S)-
  • 10-Octadecenoic acid, 9,12,13-trihydroxy-, [9S-(9R*,10E,12R*,13R*)]-
  • (9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid
  • Pinellic acid
  • (-)-Pinellic acid

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