Name: 23-Oxa-OSW-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912277
Cas No:790224-37-2
常用名:23-Oxa-OSW-1
IUPAC:(2S,3R,4S,5R)-2-{[(2S,3R,4S,5S)-2-{[(1S,2S,3aS,3bR,7S,9aR,9bS,11aS)-1-[(2S)-1-(dodecyloxy)-1-oxopropan-2-yl]-1,7-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl 4-methoxybenzoate
IUPAC:(2S,3R,4S,5R)-2-{[(2S,3R,4S,5S)-2-{[(1S,2S,3aS,3bR,7S,9aR,9bS,11aS)-1-[(2S)-1-(dodecyloxy)-1-oxopropan-2-yl]-1,7-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl 4-methoxybenzoate
InChI key:InChIKey=WGOKCDWFKWEZQT-YHHMDCOVSA-N

分子式:C54H82O16
分子量:987.234
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@H](O[C@@H]3OC[C@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4OC(=O)c4ccc(OC)cc4)[C@H]3OC(C)=O)[C@](O)([C@H](C)C(=O)OCCCCCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C
SMILES:[H][C@@]12C[C@H](O[C@@H]3OC[C@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4OC(=O)c4ccc(OC)cc4)[C@H]3OC(C)=O)[C@](O)([C@H](C)C(=O)OCCCCCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C

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