Asteriscunolide A
HIT100653046
sdf文件结构编辑类似物检索
HIT ID: HIT100653046
Cas No: 90383-29-2
分子式: C15H18O3
分子量: 246.306
常用名: Asteriscunolide A
氢键受体数 (HBA): 2
氢键供体数 (HBD): 0
LogP: 3.59
IUPAC: (4Z,7Z)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
IUPAC: (4Z,7Z)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
SMILES: C\C1=C\CCC2=CC(OC2=O)C(C)(C)\C=C/C1=O |c:15,t:1,5|
SMILES: C\C1=C\CCC2=CC(OC2=O)C(C)(C)\C=C/C1=O |c:15,t:1,5|
InChI key: CAHQQYHQUHYOGU-KCGUVZDHSA-N
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