Name: Tixocortol pivalate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212710057
Cas No:55560-96-8
常用名:Tixocortol pivalate
IUPAC:(1R,3aS,3bS,9aR,9bS,10S,11aS)-1-{2-[(2,2-dimethylpropanoyl)sulfanyl]acetyl}-1,10-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC:(1R,3aS,3bS,9aR,9bS,10S,11aS)-1-{2-[(2,2-dimethylpropanoyl)sulfanyl]acetyl}-1,10-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:BISFDZNIUZIKJD-XDANTLIUSA-N

分子式:C26H38O5S
分子量:462.65
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:3.9591238
SMILES:[H][C@@]12CC[C@](O)(C(=O)CSC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:29|
SMILES:[H][C@@]12CC[C@](O)(C(=O)CSC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:29|

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