Grayanotoxin III
HIT214319513
sdf文件结构编辑类似物检索
HIT ID: HIT214319513
Cas No: 4678-45-9
分子式: C20H34O6
分子量: 370.486
常用名: Grayanotoxin III
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,3R,4R,6S,8S,9R,10R,13R,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecane-3,4,6,9,14,16-hexol
IUPAC: (1S,3R,4R,6S,8S,9R,10R,13R,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecane-3,4,6,9,14,16-hexol
SMILES: [H][C@]12CC[C@]3([H])[C@@](C[C@@]1(C)O)(C[C@@H](O)[C@@]1(O)[C@@]([H])(C[C@H](O)C1(C)C)[C@]3(C)O)C2O |TLB:28:27:4.3.2:8.7|
SMILES: [H][C@]12CC[C@]3([H])[C@@](C[C@@]1(C)O)(C[C@@H](O)[C@@]1(O)[C@@]([H])(C[C@H](O)C1(C)C)[C@]3(C)O)C2O |TLB:28:27:4.3.2:8.7|
InChI key: BWMFRQKICHXLSH-HEZRRLFXSA-N
共显示1个结果
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TargetMol
SC
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