Tixocortol pivalate
HIT212710057
sdf文件结构编辑类似物检索
HIT ID: HIT212710057
Cas No: 55560-96-8
分子式: C26H38O5S
分子量: 462.65
常用名: Tixocortol pivalate
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 3.9591238
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
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|
InChI key: BISFDZNIUZIKJD-XDANTLIUSA-N
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