Pfaffic acid

CAS Registry Number®

86432-14-6

CAS Name

Pfaffic acid

Molecular Formula

C29H44O3

Molecular Mass

440.66

Cite this Page

Pfaffic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86432-14-6 (retrieved 2024-10-10) (CAS RN: 86432-14-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H44O3/c1-24(2)19-9-12-27(5)20(26(19,4)11-10-22(24)30)8-7-17-18-15-25(3)13-14-29(18,23(31)32)21(25)16-28(17,27)6/h7,18-22,30H,8-16H2,1-6H3,(H,31,32)

InChIKey

InChIKey=AXDBORJNOUXIBC-UHFFFAOYSA-N

SMILES

C(O)(=O)C12C3C=4C(C)(CC1C(C)(C3)CC2)C5(C)C(CC4)C6(C)C(CC5)C(C)(C)C(O)CC6

Canonical SMILES

O=C(O)C12CCC3(C)CC2C4=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC31

Other Names for this Substance

  • 16,20-Cyclo-30-norolean-12-en-28-oic acid, 3-hydroxy-, (3β)-
  • (3β)-3-Hydroxy-16,20-cyclo-30-norolean-12-en-28-oic acid
  • Pfaffic acid
  • (+)-Pfaffic acid

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