Cangorinine E-1
HIT218851553
sdf文件结构编辑类似物检索
HIT ID: HIT218851553
Cas No: 155944-24-4
分子式: C43H49NO18
分子量: 867.854
常用名: Cangorinine E-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21,22-tetrakis(acetyloxy)-20-[(acetyloxy)methyl]-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7(12),8,10-trien-24-yl benzoate
IUPAC: (1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21,22-tetrakis(acetyloxy)-20-[(acetyloxy)methyl]-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7(12),8,10-trien-24-yl benzoate
SMILES: [H][C@@]12[C@@H](OC(=O)c3ccccc3)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@]([H])([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
SMILES: [H][C@@]12[C@@H](OC(=O)c3ccccc3)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@]([H])([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
InChI key: DPTIBNOQWFLHCG-UAYAMSOCSA-N
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