Name: (1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl(14,14,15-2H3)-7-oxapentacyclo[9.7.0.0^{2,8}.0^{6,8}.0^{12,16}]octadec-4-ene-4-carbonitrile
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219227656
Cas No:
常用名:(1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl(14,14,15-2H3)-7-oxapentacyclo[9.7.0.0^{2,8}.0^{6,8}.0^{12,16}]octadec-4-ene-4-carbonitrile
常用名:(1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl(14,14,15-2H3)-7-oxapentacyclo[9.7.0.0^{2,8}.0^{6,8}.0^{12,16}]octadec-4-ene-4-carbonitrile
IUPAC:(1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl(14,14,15-2H3)-7-oxapentacyclo[9.7.0.0^{2,8}.0^{6,8}.0^{12,16}]octadec-4-ene-4-carbonitrile
IUPAC:(1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl(14,14,15-2H3)-7-oxapentacyclo[9.7.0.0^{2,8}.0^{6,8}.0^{12,16}]octadec-4-ene-4-carbonitrile
InChI key:KVJXBPDAXMEYOA-HTOIPYNASA-N

分子式:C20H27NO3
分子量:332.458
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC([2H])([2H])[C@]([2H])(O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C#N)=C2O
SMILES:[H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC([2H])([2H])[C@]([2H])(O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C#N)=C2O

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