Ajulemic acid

CAS Registry Number®

137945-48-3

CAS Name

Ajulemic acid

Molecular Formula

C25H36O4

Molecular Mass

400.55

Cite this Page

Ajulemic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=137945-48-3 (retrieved 2024-11-23) (CAS RN: 137945-48-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1

InChIKey

InChIKey=YCHYFHOSGQABSW-RTBURBONSA-N

SMILES

OC1=C2[C@]3([C@](C(C)(C)OC2=CC(C(CCCCCC)(C)C)=C1)(CC=C(C(O)=O)C3)[H])[H]

Canonical SMILES

O=C(O)C1=CCC2C(C3=C(O)C=C(C=C3OC2(C)C)C(C)(C)CCCCCC)C1

Other Names for this Substance

  • 6H-Dibenzo[b,d]pyran-9-carboxylic acid, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-, (6aR,10aR)-
  • 6H-Dibenzo[b,d]pyran-9-carboxylic acid, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-, (6aR-trans)-
  • (6aR,10aR)-3-(1,1-Dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-carboxylic acid
  • CT 3
  • Ajulemic acid

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