Name: Maoecrystal A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212664545
Cas No:96850-30-5
常用名:Maoecrystal A
IUPAC:(1S,2S,5R,7R,8S,10S,11R,13R)-10-hydroxy-12,12-dimethyl-6-methylidene-9,16-dioxo-14-oxapentacyclo[11.2.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-7-yl acetate
IUPAC:(1S,2S,5R,7R,8S,10S,11R,13R)-10-hydroxy-12,12-dimethyl-6-methylidene-9,16-dioxo-14-oxapentacyclo[11.2.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-7-yl acetate
InChI key:DCULYKVTBAXAER-XETVFITMSA-N

分子式:C22H28O6
分子量:388.46
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:1.6607099
SMILES:CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]11[C@@H](CC2)[C@]23CO[C@H](CC2=O)C(C)(C)[C@H]3[C@H](O)C1=O
SMILES:CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]11[C@@H](CC2)[C@]23CO[C@H](CC2=O)C(C)(C)[C@H]3[C@H](O)C1=O

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