主记录
Costunolide
- CAS
- 553-21-9
- PubChem CID
- 73164
- SMILES
- CC1=CCCC(=C[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)C
- 分子式
- C15H20O2
- 分子量
- 232.323
- 精确分子量
- 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
名称与别名
- 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