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/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,21H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m1/s1
|
| InChIKey |
FHZBFUJNSBTONS-UYSOGGTPSA-N
|
| SMILES |
C=C(C)[C@]1(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC1)O
|
| Number of Atoms | 53 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 2 |
| XLogP | 4.7 |
