Longipedlactone J
HIT213885757
sdf文件结构编辑类似物检索
HIT ID: HIT213885757
Cas No: 1011762-93-8
分子式: C32H40O7
分子量: 536.665
常用名: Longipedlactone J
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,9S,10R,12S,13S,18R)-1-hydroxy-8,8,13-trimethyl-16-[(1R)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-17-methylidene-6-oxo-7-oxatetracyclo[10.7.0.0^{3,9}.0^{13,18}]nonadeca-2,4,15-trien-10-yl acetate
IUPAC: (1S,9S,10R,12S,13S,18R)-1-hydroxy-8,8,13-trimethyl-16-[(1R)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-17-methylidene-6-oxo-7-oxatetracyclo[10.7.0.0^{3,9}.0^{13,18}]nonadeca-2,4,15-trien-10-yl acetate
SMILES: C[C@@H]([C@H]1CC=C(C)C(=O)O1)C1=CC[C@@]2(C)[C@@H](C[C@]3(O)C=C4C=CC(=O)OC(C)(C)[C@@H]4[C@@H](C[C@@H]23)OC(C)=O)C1=C |c:22,t:4,11,20|
SMILES: C[C@@H]([C@H]1CC=C(C)C(=O)O1)C1=CC[C@@]2(C)[C@@H](C[C@]3(O)C=C4C=CC(=O)OC(C)(C)[C@@H]4[C@@H](C[C@@H]23)OC(C)=O)C1=C |c:22,t:4,11,20|
InChI key: VPYOIPWGVNGDBV-JZMSTCSUSA-N
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