记录说明
(3S,4R,4aR)-4-[(1S)-2-chloro-1-hydroxyethyl]-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one 收自 NPASS。关联生物包括 Caloglossa leprieurii。
C16H23ClO11
式量由分子式和标准同位素质量计算,426.092889。
(3S,4R,4aR)-4-[(1S)-2-chloro-1-hydroxyethyl]-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one 收自 NPASS。关联生物包括 Caloglossa leprieurii。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C1COC(=O)C2=CO[C@H]([C@H]([C@@H](CCl)O)[C@]12O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
InChIKey
ARMMNIKQQDMXLP-YZYAHLETSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(3S,4R,4aR)-4-[(1S)-2-chloro-1-hydroxyethyl]-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one