记录说明
[(1R,2R,4R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,1 收自 NPASS。关联生物包括 Grateloupia livida。
C37H44O10
式量由分子式和标准同位素质量计算,648.293448。
[(1R,2R,4R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,1 收自 NPASS。关联生物包括 Grateloupia livida。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CCCC=CC=C/C=C/C(=O)O[C@@H]1[C@@H](C)[C@]23[C@@H]4C[C@@H](C)C(=O)[C@]4([C@@H]([C@]4(CO)[C@H]([C@H]2[C@@H]2[C@@]1(C(=C)C)O[C@@](c1ccccc1)(O2)O3)O4)O)O
InChIKey
WDTQMUHLTIKXFS-LJGQCVBUSA-N
CAS:这里用的两张来源表里没有。
IUPAC
[(1R,2R,4R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] (2E)-deca-2,4,6-trienoate