Name: Compound 0449-0126
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT211253996
Cas No:
常用名:Compound 0449-0126
IUPAC:4-[(3bR,9bS)-3a,5a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a-(hydroxymethyl)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
IUPAC:4-[(3bR,9bS)-3a,5a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a-(hydroxymethyl)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
InChI key:WPKQVDYSPWCVGM-VTUZSQCESA-N

分子式:C30H46O9
分子量:550.689
氢键供体数 (HBD):4
氢键受体数 (HBA):10
LogP:0.4154
SMILES:[H][C@@]12CCC3(O)CC(CCC3(CO)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1)OC1CC(OC)C(O)C(C)O1 |t:28|
SMILES:[H][C@@]12CCC3(O)CC(CCC3(CO)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1)OC1CC(OC)C(O)C(C)O1 |t:28|

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