Name: 3-Formyl rifamycin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212000653
Cas No:13292-22-3
常用名:3-Formyl rifamycin
别名:3-Formylrifamycin, 3 甲酰利福平霉素
IUPAC:(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-formyl-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl acetate
IUPAC:(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-formyl-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl acetate
InChI key:BBNQHOMJRFAQBN-SSJZMWBASA-N

分子式:C38H47NO13
分子量:725.788
氢键供体数 (HBD):6
氢键受体数 (HBA):12
LogP:5.1868463
SMILES:CO[C@H]1\C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(C=O)c(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |c:3,25,27|
SMILES:CO[C@H]1\C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(C=O)c(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |c:3,25,27|

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