Name: Norhyodeoxycholic Acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321525
Cas No:77518-23-1
常用名:Norhyodeoxycholic Acid
IUPAC:(3R)-3-[(1R,3aS,3bS,5S,5aR,7R,9aR,9bS,11aR)-5,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]butanoic acid
IUPAC:(3R)-3-[(1R,3aS,3bS,5S,5aR,7R,9aR,9bS,11aR)-5,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]butanoic acid
InChI key:ZBAVIUQLFUYWMT-NNUWNQTCSA-N

分子式:C23H38O4
分子量:378.553
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC(O)=O
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC(O)=O

Norhyodeoxycholic acid (NHDCA) is a synthetic bile acid and a derivative of hyodeoxycholic acid .1,2 NHDCA is an intermediate in the synthesis of 3β-sulfooxy-7β-hydroxy-24-nor-5-cholen-23-oic acid, which has been used as an internal standard for the quantification of δ5-bile acid conjugates that have been identified in patients with Niemann-Pick disease type C1.3

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