Name: Triocacarcinone A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320342
Cas No:81552-35-4
常用名:Triocacarcinone A
别名:Trioxacarcin A(sub 2), DC-45 A(sub 2), Antibiotic DC 45 A(sub 2)
别名:Trioxacarcin A(sub 2), DC-45 A(sub 2), Antibiotic DC 45 A(sub 2)
IUPAC:(1S,8S,10S,17R,18S,19R,21S)-19-(dimethoxymethyl)-8,10,13,17-tetrahydroxy-6-methoxy-3-methyl-16,20,22-trioxaspiro[hexacyclo[17.2.1.0^{2,15}.0^{5,14}.0^{7,12}.0^{17,21}]docosane-18,2'-oxirane]-2(15),3,5,7(12),13-pentaen-11-one
IUPAC:(1S,8S,10S,17R,18S,19R,21S)-19-(dimethoxymethyl)-8,10,13,17-tetrahydroxy-6-methoxy-3-methyl-16,20,22-trioxaspiro[hexacyclo[17.2.1.0^{2,15}.0^{5,14}.0^{7,12}.0^{17,21}]docosane-18,2'-oxirane]-2(15),3,5,7(12),13-pentaen-11-one
InChI key:CPBAGBXYUGCFGT-CBEGQXPNSA-N

分子式:C25H26O12
分子量:518.471
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@]3(O[C@]1([H])[C@@](O)(Oc1c2c(C)cc2c(OC)c4[C@@H](O)C[C@H](O)C(=O)c4c(O)c12)[C@@]31CO1)C(OC)OC
SMILES:[H][C@@]12O[C@]3(O[C@]1([H])[C@@](O)(Oc1c2c(C)cc2c(OC)c4[C@@H](O)C[C@H](O)C(=O)c4c(O)c12)[C@@]31CO1)C(OC)OC

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