Compound 0449-0087
HIT211253982
sdf文件结构编辑类似物检索
HIT ID: HIT211253982
Cas No:
分子式: C32H46O9
分子量: 574.711
常用名: Compound 0449-0087
氢键受体数 (HBA): 11
氢键供体数 (HBD): 2
LogP: 2.2084
IUPAC: (3bR,9bS)-7-{[(3aR,4R,6R,7aS)-2,2,4-trimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy}-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde
IUPAC: (3bR,9bS)-7-{[(3aR,4R,6R,7aS)-2,2,4-trimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy}-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde
SMILES: [H][C@]12C[C@H](OC3CCC4(C=O)[C@@]5([H])CCC6(C)C(CCC6(O)[C@]5([H])CCC4(O)C3)C3=CC(=O)OC3)O[C@H](C)[C@@]1([H])OC(C)(C)O2 |t:33|
SMILES: [H][C@]12C[C@H](OC3CCC4(C=O)[C@@]5([H])CCC6(C)C(CCC6(O)[C@]5([H])CCC4(O)C3)C3=CC(=O)OC3)O[C@H](C)[C@@]1([H])OC(C)(C)O2 |t:33|
InChI key: FDZGGUZEWBKPAY-OWVJWGHMSA-N
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