Name: Cryptanoside A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315794
Cas No:98570-81-1
常用名:Cryptanoside A
IUPAC:(1R,3S,5S,7S,10S,11S,12S,14R,15R,18R)-12,18-dihydroxy-7-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-10,14-dimethyl-15-(5-oxo-2,5-dihydrofuran-3-yl)-2-oxapentacyclo[9.7.0.0^{1,3}.0^{5,10}.0^{14,18}]octadecan-13-one
IUPAC:(1R,3S,5S,7S,10S,11S,12S,14R,15R,18R)-12,18-dihydroxy-7-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-10,14-dimethyl-15-(5-oxo-2,5-dihydrofuran-3-yl)-2-oxapentacyclo[9.7.0.0^{1,3}.0^{5,10}.0^{14,18}]octadecan-13-one
InChI key:HGZQTHMHTBGLMG-TZUBOXRBSA-N

分子式:C30H42O10
分子量:562.656
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]3([H])C[C@H](CC[C@]3(C)[C@@]3([H])[C@H](O)C(=O)[C@]4(C)[C@]([H])(CC[C@]4(O)[C@]13O2)C1=CC(=O)OC1)O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1 |t:32|
SMILES:[H][C@]12C[C@]3([H])C[C@H](CC[C@]3(C)[C@@]3([H])[C@H](O)C(=O)[C@]4(C)[C@]([H])(CC[C@]4(O)[C@]13O2)C1=CC(=O)OC1)O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1 |t:32|

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