(19S,23E)-5β,19-Epoxy-19-methoxycucurbita-6,23,25-trien-3β-ol
HIT214317298
sdf文件结构编辑类似物检索
HIT ID: HIT214317298
Cas No: 874287-87-3
分子式: C31H48O3
分子量: 468.722
常用名: (19S,23E)-5β,19-Epoxy-19-methoxycucurbita-6,23,25-trien-3β-ol
常用名: (19S,23E)-5β,19-Epoxy-19-methoxycucurbita-6,23,25-trien-3β-ol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,4S,5S,8R,9R,12S,13S,16S)-19-methoxy-5,9,17,17-tetramethyl-8-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-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)-19-methoxy-5,9,17,17-tetramethyl-8-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-18-oxapentacyclo[10.5.2.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-2-en-16-ol
SMILES: [H][C@@]1(CC[C@@]2(C)[C@]3([H])C=C[C@@]45OC(OC)[C@]3(CC[C@]12C)[C@]4([H])CC[C@H](O)C5(C)C)[C@H](C)C\C=C\C(C)=C |c:8,THB:22:20:12.11:9.8.6|
SMILES: [H][C@@]1(CC[C@@]2(C)[C@]3([H])C=C[C@@]45OC(OC)[C@]3(CC[C@]12C)[C@]4([H])CC[C@H](O)C5(C)C)[C@H](C)C\C=C\C(C)=C |c:8,THB:22:20:12.11:9.8.6|
InChI key: WCMMZXFPTXDTOT-MQENPAHKSA-N
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