BCECF-AM
HIT212671007
sdf文件结构编辑类似物检索
HIT ID: HIT212671007
Cas No: 117464-70-7
分子式: C80H72O38
分子量: 1641.418
常用名: BCECF-AM
氢键受体数 (HBA): 9
氢键供体数 (HBD): 0
LogP: 3.7452674
IUPAC: (acetyloxy)methyl 3-[3',6'-bis(acetyloxy)-2'-{3-[(acetyloxy)methoxy]-3-oxopropyl}-5-{[(acetyloxy)methoxy]carbonyl}-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-7'-yl]propanoate; (acetyloxy)methyl 3-[3',6'-bis(acetyloxy)-2'-{3-[(acetyloxy)methoxy]-3-oxopropyl}-6-{[(acetyloxy)methoxy]carbonyl}-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-7'-yl]propanoate
IUPAC: (acetyloxy)methyl 3-[3',6'-bis(acetyloxy)-2'-{3-[(acetyloxy)methoxy]-3-oxopropyl}-5-{[(acetyloxy)methoxy]carbonyl}-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-7'-yl]propanoate; (acetyloxy)methyl 3-[3',6'-bis(acetyloxy)-2'-{3-[(acetyloxy)methoxy]-3-oxopropyl}-6-{[(acetyloxy)methoxy]carbonyl}-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-7'-yl]propanoate
SMILES: CC(=O)OCOC(=O)CCc1cc2c(Oc3cc(OC(C)=O)c(CCC(=O)OCOC(C)=O)cc3C22OC(=O)c3cc(ccc23)C(=O)OCOC(C)=O)cc1OC(C)=O.CC(=O)OCOC(=O)CCc1cc2c(Oc3cc(OC(C)=O)c(CCC(=O)OCOC(C)=O)cc3C22OC(=O)c3ccc(cc23)C(=O)OCOC(C)=O)cc1OC(C)=O
SMILES: CC(=O)OCOC(=O)CCc1cc2c(Oc3cc(OC(C)=O)c(CCC(=O)OCOC(C)=O)cc3C22OC(=O)c3cc(ccc23)C(=O)OCOC(C)=O)cc1OC(C)=O.CC(=O)OCOC(=O)CCc1cc2c(Oc3cc(OC(C)=O)c(CCC(=O)OCOC(C)=O)cc3C22OC(=O)c3ccc(cc23)C(=O)OCOC(C)=O)cc1OC(C)=O
InChI key: UNDDCRWLSMJTCT-UHFFFAOYSA-N
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