Name: 22S,23S-Homobrassinolide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219228807
Cas No:110369-52-3
常用名:22S,23S-Homobrassinolide
IUPAC:(1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3S,4S,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0^{2,7}.0^{12,16}]octadecan-8-one [2-(trimethylazaniumyl)ethoxy]phosphonic acid chloride
IUPAC:(1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3S,4S,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0^{2,7}.0^{12,16}]octadecan-8-one [2-(trimethylazaniumyl)ethoxy]phosphonic acid chloride
InChI key:RFGNOIPAPVMSRA-JBBJHRKNSA-N

分子式:C34H65ClNO10P
分子量:714.31
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Cl-].C[N+](C)(C)CCOP(O)(O)=O.[H][C@@]1(CC[C@@]2([H])[C@]3([H])COC(=O)[C@@]4([H])C[C@H](O)[C@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)[C@@H](O)[C@@H](CC)C(C)C
SMILES:[Cl-].C[N+](C)(C)CCOP(O)(O)=O.[H][C@@]1(CC[C@@]2([H])[C@]3([H])COC(=O)[C@@]4([H])C[C@H](O)[C@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)[C@@H](O)[C@@H](CC)C(C)C

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