Name: Schidigera-genin B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600687
Cas No:267003-21-4
常用名:Schidigera-genin B
IUPAC:(1'R,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'S,16'S,18'R)-16'-hydroxy-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-10'-one
IUPAC:(1'R,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'S,16'S,18'R)-16'-hydroxy-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-10'-one
InChI key:NTVAFGGHUHTGEK-ZSRPSOFJSA-N

分子式:C27H40O4
分子量:428.613
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC(=O)[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CCC(=C)CO1)O2
SMILES:[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC(=O)[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CCC(=C)CO1)O2

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