Name: Compound TN12633
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219156682
Cas No:26362-25-4
常用名:Compound TN12633
别名:(1S,3aS,7R,8S,9aR,11aR)-1-[(2R,3R)-2,3-dihydroxy-6-methylhept-5-en-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
别名:(1S,3aS,7R,8S,9aR,11aR)-1-[(2R,3R)-2,3-dihydroxy-6-methylhept-5-en-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
IUPAC:(1S,3aS,7R,8S,9aR,11aR)-1-[(2R,3R)-2,3-dihydroxy-6-methylhept-5-en-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
IUPAC:(1S,3aS,7R,8S,9aR,11aR)-1-[(2R,3R)-2,3-dihydroxy-6-methylhept-5-en-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
InChI key:WBOQDRZZNALTIW-LGRQSOJRSA-N

分子式:C27H42O6
分子量:462.627
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:1.675
SMILES:[H][C@@]1(CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)[C@@](C)(O)[C@H](O)CC=C(C)C
SMILES:[H][C@@]1(CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)[C@@](C)(O)[C@H](O)CC=C(C)C

(1S,3aS,7R,8S,9aR,11aR)-1-[(2R,3R)-2,3-dihydroxy-6-methylhept-5-en-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one是一种高纯度生化试剂，可用于生物化学实验和药物合成研究。

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