5-Epicanadensene
HIT214315631
sdf文件结构编辑类似物检索
HIT ID: HIT214315631
Cas No: 220384-17-8
分子式: C30H42O12
分子量: 594.654
常用名: 5-Epicanadensene
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,2S,5S,7S,8Z,10R,13S)-2,7,9,10-tetrakis(acetyloxy)-5-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
IUPAC: (1R,2S,5S,7S,8Z,10R,13S)-2,7,9,10-tetrakis(acetyloxy)-5-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
SMILES: [H][C@]12C[C@H](OC(C)=O)C(C)=C([C@@]([H])(OC(C)=O)\C(OC(C)=O)=C(C)\[C@H](C[C@H](O)C(CO)=C[C@@H]1OC(C)=O)OC(C)=O)C2(C)C |c:21,t:9|
SMILES: [H][C@]12C[C@H](OC(C)=O)C(C)=C([C@@]([H])(OC(C)=O)\C(OC(C)=O)=C(C)\[C@H](C[C@H](O)C(CO)=C[C@@H]1OC(C)=O)OC(C)=O)C2(C)C |c:21,t:9|
InChI key: USDGRBIQBGVGOS-GTDSJCBHSA-N
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