Ganodermacetal
HIT217584095
sdf文件结构编辑类似物检索
HIT ID: HIT217584095
Cas No: 1443298-77-8
分子式: C33H50O7
分子量: 558.756
常用名: Ganodermacetal
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,6R)-6-[(1S,3R,5S,8S,12R,13R,15S,20R)-5-hydroxy-4,4,8,12,17,17,20-heptamethyl-10-oxo-16,18-dioxapentacyclo[10.6.2.0^{3,8}.0^{9,19}.0^{15,20}]icos-9(19)-en-13-yl]-2-methyl-4-oxoheptanoic acid
IUPAC: (2R,6R)-6-[(1S,3R,5S,8S,12R,13R,15S,20R)-5-hydroxy-4,4,8,12,17,17,20-heptamethyl-10-oxo-16,18-dioxapentacyclo[10.6.2.0^{3,8}.0^{9,19}.0^{15,20}]icos-9(19)-en-13-yl]-2-methyl-4-oxoheptanoic acid
SMILES: [H][C@@]12C[C@]([H])([C@H](C)CC(=O)C[C@@H](C)C(O)=O)[C@@]3(C)CC(=O)C4=C([C@]([H])(C[C@@]5([H])C(C)(C)[C@@H](O)CC[C@]45C)OC(C)(C)O1)[C@]23C
SMILES: [H][C@@]12C[C@]([H])([C@H](C)CC(=O)C[C@@H](C)C(O)=O)[C@@]3(C)CC(=O)C4=C([C@]([H])(C[C@@]5([H])C(C)(C)[C@@H](O)CC[C@]45C)OC(C)(C)O1)[C@]23C
InChI key: NLLJZGSUSJANTN-JVRPBZTDSA-N
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