Pentalenolactone E
HIT106524299
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HIT ID: HIT106524299
Cas No: 72715-03-8
分子式: C15H18O4
分子量: 262.305
常用名: Pentalenolactone E
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 2.14
IUPAC: (1R,8R)-3,3-dimethyl-12-methylidene-11-oxo-10-oxatricyclo[6.4.0.0^{1,5}]dodec-6-ene-7-carboxylic acid
IUPAC: (1R,8R)-3,3-dimethyl-12-methylidene-11-oxo-10-oxatricyclo[6.4.0.0^{1,5}]dodec-6-ene-7-carboxylic acid
SMILES: CC1(C)CC2C=C([C@@H]3COC(=O)C(=C)[C@]23C1)C(O)=O |c:5|
SMILES: CC1(C)CC2C=C([C@@H]3COC(=O)C(=C)[C@]23C1)C(O)=O |c:5|
InChI key: VDWJABPVVAYLBS-BRIYQRAZSA-N
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