Schisanlactone E
HIT214314596
sdf文件结构编辑类似物检索
HIT ID: HIT214314596
Cas No: 136040-43-2
分子式: C30H44O4
分子量: 468.678
常用名: Schisanlactone E
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-[(1S,4R,5R,8S,9S,12S,13R)-4,8-dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-12-(prop-1-en-2-yl)tetracyclo[7.5.0.0^{1,13}.0^{4,8}]tetradecan-13-yl]propanoic acid
IUPAC: 3-[(1S,4R,5R,8S,9S,12S,13R)-4,8-dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-12-(prop-1-en-2-yl)tetracyclo[7.5.0.0^{1,13}.0^{4,8}]tetradecan-13-yl]propanoic acid
SMILES: [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C)[C@H](C)[C@@]1([H])CC=C(C)C(=O)O1 |t:35|
SMILES: [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C)[C@H](C)[C@@]1([H])CC=C(C)C(=O)O1 |t:35|
InChI key: RRSQKAFYPICCAZ-PTWMZBRVSA-N
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