(19S,23R)-5β,19-Epoxy-19,23-dimethoxycucurbita-6,24-dien-3β-ol
HIT214317290
sdf文件结构编辑类似物检索
HIT ID: HIT214317290
Cas No: 1474062-47-9
分子式: C32H52O4
分子量: 500.764
常用名: (19S,23R)-5β,19-Epoxy-19,23-dimethoxycucurbita-6,24-dien-3β-ol
常用名: (19S,23R)-5β,19-Epoxy-19,23-dimethoxycucurbita-6,24-dien-3β-ol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-methoxy-8-[(2R,4R)-4-methoxy-6-methylhept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-2-en-16-ol
IUPAC: (1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-methoxy-8-[(2R,4R)-4-methoxy-6-methylhept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-2-en-16-ol
SMILES: [H][C@@]1([#6]-[#6][C@@]2([#6])[C@]3([H])[#6]=[#6][C@@]45[#8]-[#6@H](-[#8]-[#6])[C@]3([#6]-[#6][C@]12[#6])[C@]4([H])[#6]-[#6]-[#6@H](-[#8])C5([#6])[#6])[#6@H](-[#6])-[#6]-[#6@@H](-[#8]-[#6])\[#6]=[#6](\[#6])-[#6] |c:8,THB:13:12:20:9.8.6|
SMILES: [H][C@@]1([#6]-[#6][C@@]2([#6])[C@]3([H])[#6]=[#6][C@@]45[#8]-[#6@H](-[#8]-[#6])[C@]3([#6]-[#6][C@]12[#6])[C@]4([H])[#6]-[#6]-[#6@H](-[#8])C5([#6])[#6])[#6@H](-[#6])-[#6]-[#6@@H](-[#8]-[#6])\[#6]=[#6](\[#6])-[#6] |c:8,THB:13:12:20:9.8.6|
InChI key: CRZHMFVUXYIFSA-HRNSCMLOSA-N
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