Name: 3β-Isodihydrocadambine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317175
Cas No:62014-69-1
常用名:3β-Isodihydrocadambine
IUPAC:methyl (1R,14R,15S,16S,20S)-14-(hydroxymethyl)-16-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
IUPAC:methyl (1R,14R,15S,16S,20S)-14-(hydroxymethyl)-16-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
InChI key:FCECVXQMCZMWDG-QLIJHQAKSA-N

分子式:C27H34N2O10
分子量:546.573
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]3([H])C(=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]3([H])[C@H](CO)N1CCc1c2[nH]c2ccccc12)C(=O)OC |c:5|
SMILES:[H][C@]12C[C@]3([H])C(=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]3([H])[C@H](CO)N1CCc1c2[nH]c2ccccc12)C(=O)OC |c:5|

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