记录说明
(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3 收自 NPASS。关联生物包括 Bryocladia cuspidata。
C51H84O23
式量由分子式和标准同位素质量计算,1064.540339。
(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3 收自 NPASS。关联生物包括 Bryocladia cuspidata。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C[C@H](CC[C@@]1([C@@H](C)[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O[C@@H]2[C@@H]([C@@H]([C@H]([C@H](C)O2)O)O)O)O)O1)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
InChIKey
QUMAKTXJGFOROP-VJIQELDSSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-