nrx194204 Report issue

Small molecule Experimental
AACT ChEMBL MeSH PubChem

Back

Chemistry

Mol. Mass

352.52

ALogP

5.9

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C\C(=C/C(=O)O)\C=C\[C@@H]1C[C@]1(C)c2ccc3c(c2)C(C)(C)CCC3(C)C
  • InChIKey: BOOOLEGQBVUTKC-NVQSDHBMSA-N
    InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL75133   ChEMBL
irx-4204

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue