Name: (22S,24E)-3β,22-Diacetoxylanosta-7,9(11),24-trien-26-oic acid
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218850877
Cas No:1846584-06-2
常用名:(22S,24E)-3β,22-Diacetoxylanosta-7,9(11),24-trien-26-oic acid
常用名:(22S,24E)-3β,22-Diacetoxylanosta-7,9(11),24-trien-26-oic acid
IUPAC:(2E,5S,6S)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid
IUPAC:(2E,5S,6S)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid
InChI key:RXLRLJSRXDHQCH-AERNORENSA-N

分子式:C34H50O6
分子量:554.768
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)[C@H](C)[C@H](C\C=C(/C)C(O)=O)OC(C)=O
SMILES:[H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)[C@H](C)[C@H](C\C=C(/C)C(O)=O)OC(C)=O

(22S,24E)-3β,22-Diacetoxylanosta-7,9(11),24-trien-26-oic acid (compound 15) 为具有抗结核活性的化合物，对结核分枝杆H37Ra的最小抑菌浓度（MIC）为12.5 μg/mL，并展现出对Vero细胞的细胞毒性，其半数抑制浓度（IC50）值为32 μM[1]。

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