Wilforgine
HIT212651495
sdf文件结构编辑类似物检索
HIT ID: HIT212651495
Cas No: 37239-47-7
分子式: C41H47NO19
分子量: 857.815
常用名: Wilforgine
氢键受体数 (HBA): 11
氢键供体数 (HBD): 1
LogP: 0.85302347
IUPAC: (1S,3R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0^{1,21}.0^{3,24}.0^{7,12}]hexacosa-7,9,11-trien-19-yl furan-3-carboxylate
IUPAC: (1S,3R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0^{1,21}.0^{3,24}.0^{7,12}]hexacosa-7,9,11-trien-19-yl furan-3-carboxylate
SMILES: CC1CCc2ncccc2C(=O)OC[C@]2(C)O[C@]34[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)c2ccoc2)[C@H](OC1=O)[C@]4(C)O |THB:19:18:14.16:24.29.34|
SMILES: CC1CCc2ncccc2C(=O)OC[C@]2(C)O[C@]34[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)c2ccoc2)[C@H](OC1=O)[C@]4(C)O |THB:19:18:14.16:24.29.34|
InChI key: QFIYSPKZWOALMZ-IAVRGAQESA-N
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供应商规格单价货期纯度操作
TargetMol
SC
3721-3天 购物车
Mcule
SC
18944-5周 购物车
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