Baccatin IV
HIT214315712
sdf文件结构编辑类似物检索
HIT ID: HIT214315712
Cas No: 57672-77-2
分子式: C32H44O14
分子量: 652.69
常用名: Baccatin IV
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-2,9,11,12,15-pentakis(acetyloxy)-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-4-yl acetate
IUPAC: (1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-2,9,11,12,15-pentakis(acetyloxy)-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-4-yl acetate
SMILES: [H][C@@]12C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(C)=O)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(C)=O |c:20|
SMILES: [H][C@@]12C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(C)=O)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(C)=O |c:20|
InChI key: CCJGGIKEFAWREN-WBPIOOJSSA-N
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