记录说明
(1R,2S,8R,10R,19R,20S,39S)-8,9,9,13,14,25,26,27,30,31,32,39-dodecahydroxy-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.12,19.18,12.05,10.011,16.023,28.029,34]tetraconta-5,11,13,15,23, 收自 NPASS。关联生物包括 Oscillatoria princeps。
C34H24O23
式量由分子式和标准同位素质量计算,800.070837。
(1R,2S,8R,10R,19R,20S,39S)-8,9,9,13,14,25,26,27,30,31,32,39-dodecahydroxy-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.12,19.18,12.05,10.011,16.023,28.029,34]tetraconta-5,11,13,15,23, 收自 NPASS。关联生物包括 Oscillatoria princeps。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
c1c2c(-c3c(cc(c(c3O)O)O)C(=O)O[C@H]3[C@H]4[C@H]([C@@H]([C@@H](COC2=O)O3)OC(=O)C2=CC(=O)[C@]3(C([C@@H]2c2c(cc(c(c2O3)O)O)C(=O)O4)(O)O)O)O)c(c(c1O)O)O
InChIKey
DOSGOFPXAZRTGO-XCBQHMCESA-N
CAS:这里用的两张来源表里没有。
IUPAC
(1R,2S,8R,10R,19R,20S,39S)-8,9,9,13,14,25,26,27,30,31,32,39-dodecahydroxy-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.12,19.18,12.05,10.011,16.023,28.029,34]tetraconta-5,11,13,15,23,25,27,29,31,33-decaene-4,7,17,22,35-pentone