Chemical Compound

Costunolide

CAS Registry Number553-21-9

Primary record

CAS: 553-21-9
PubChem CID: 73164
SMILES: CC1=CCCC(=C[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)C
Molecular Formula: C15H20O2
Molecular Weight: 232.323
Exact Mass: 232.1463
InChI: InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/t13-,14+/m0/s1
InChIKey: HRYLQFBHBWLLLL-UONOGXRCSA-N
LogP: 3.5508
TPSA: 26.3

Names and synonyms

Costunolide
Costundide
(+)-costunolide
SCHEMBL17005796
AKOS032962030
ZINC253636372
AK168190
553-21-9
(3aS,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one