Valepotriate
HIT212651971
sdf文件结构编辑类似物检索
HIT ID: HIT212651971
Cas No: 18296-44-1
分子式: C22H30O8
分子量: 422.474
常用名: Valepotriate
氢键受体数 (HBA): 5
氢键供体数 (HBD): 0
LogP: 2.2365234
IUPAC: (1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-6-yl 3-methylbutanoate
IUPAC: (1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-6-yl 3-methylbutanoate
SMILES: CC(C)CC(=O)O[C@H]1C=C2[C@H]([C@H](OC(=O)CC(C)C)OC=C2COC(C)=O)[C@@]11CO1 |c:8,20|
SMILES: CC(C)CC(=O)O[C@H]1C=C2[C@H]([C@H](OC(=O)CC(C)C)OC=C2COC(C)=O)[C@@]11CO1 |c:8,20|
InChI key: BDIAUFOIMFAIPU-KVJIRVJXSA-N
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
5521-3天 购物车
Mcule
SC
4704-5周 购物车
Mcule
SC
12084-5周 购物车
TargetMol | Target Loading
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