Name: 3,10-Dihydroxy-5,11-dielmenthadiene-4,9-dione
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT214315571
Cas No:106623-23-8
常用名:3,10-Dihydroxy-5,11-dielmenthadiene-4,9-dione
常用名:3,10-Dihydroxy-5,11-dielmenthadiene-4,9-dione
IUPAC:(1S,2S,3R,7R,8S,10R)-3,10-dihydroxy-3,10-dimethyl-6,12-bis(propan-2-yl)tricyclo[6.2.2.0^{2,7}]dodeca-5,11-diene-4,9-dione
IUPAC:(1S,2S,3R,7R,8S,10R)-3,10-dihydroxy-3,10-dimethyl-6,12-bis(propan-2-yl)tricyclo[6.2.2.0^{2,7}]dodeca-5,11-diene-4,9-dione
InChI key:YNYHPBIGKWCFOA-GNNUITGDSA-N

分子式:C20H28O4
分子量:332.44
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C(=C[C@@]([H])([C@]3([H])[C@@]1([H])C(=CC(=O)[C@]3(C)O)C(C)C)[C@@](C)(O)C2=O)C(C)C |c:2,11,TLB:10:8:20.23:2.3,21:20:8.6:2.3,14:6:20.23:2.3|
SMILES:[H][C@@]12C(=C[C@@]([H])([C@]3([H])[C@@]1([H])C(=CC(=O)[C@]3(C)O)C(C)C)[C@@](C)(O)C2=O)C(C)C |c:2,11,TLB:10:8:20.23:2.3,21:20:8.6:2.3,14:6:20.23:2.3|

3,10-Dihydroxy-5,11-dielmenthadiene-4,9-dione是一种天然产物，属于柏科澳柏属，其产品编号为 TN2852，CAS号为 106623-23-8。3,10-Dihydroxy-5,11-dielmenthadiene-4,9-dione可用作对照参考。

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