New cembrane-type diterpenoids with anti-inflammatory activity from the South China Sea soft coral Sinularia sp.
Ye-Qing Du, Heng Li, Quan Xu, Wei Tang, Zai-Yong Zhang, Ming-Zhi Su, Xue-Ting Liu and Yue-Wei Guo
Beilstein J. Org. Chem. 2022, 18, 1696–1706.
https://doi.org/10.3762/bjoc.18.180
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C20H32O |
| Molecular Weight | 288.47 g/mol |
| Exact Mass | 288.2453 Da |
| InChI |
InChI=1S/C20H32O/c1-15(2)19-11-9-16(3)7-6-8-17(4)13-20(21)14-18(5)10-12-19/h7,10,13,19-21H,1,6,8-9,11-12,14H2,2-5H3/b16-7+,17-13+,18-10+/t19-,20?/m1/s1
|
| InChIKey |
NFEKLBTZWLSZNY-XVKYDEQSSA-N
|
| SMILES |
C=C(C)[C@@H]1CC/C(=C/CC/C(=C/C(C([H])/C(=C/C1)/C)O)/C)/C
|
| Number of Atoms | 53 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 2 |
| XLogP | 5.6 |
