WF 11605
HIT214317464
sdf文件结构编辑类似物检索
HIT ID: HIT214317464
Cas No: 127475-47-2
分子式: C38H60O11
分子量: 692.887
常用名: WF 11605
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2R,4aS,6aR,8R,9R,10aS,12aS)-9-(acetyloxy)-2,4a,7,7,10a,12a-hexamethyl-2-[(2R)-3-methylbutan-2-yl]-3-oxo-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydrochrysene-1-carboxylic acid
IUPAC: (1S,2R,4aS,6aR,8R,9R,10aS,12aS)-9-(acetyloxy)-2,4a,7,7,10a,12a-hexamethyl-2-[(2R)-3-methylbutan-2-yl]-3-oxo-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydrochrysene-1-carboxylic acid
SMILES: [H][C@@]12CCC3=C(CC[C@@]4(C)[C@H](C(O)=O)[C@@](C)([C@H](C)C(C)C)C(=O)C[C@]34C)[C@@]1(C)C[C@@H](OC(C)=O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2(C)C |t:4|
SMILES: [H][C@@]12CCC3=C(CC[C@@]4(C)[C@H](C(O)=O)[C@@](C)([C@H](C)C(C)C)C(=O)C[C@]34C)[C@@]1(C)C[C@@H](OC(C)=O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2(C)C |t:4|
InChI key: FBAPXRMZLULGNA-TVJNVOSNSA-N
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