记录说明
[(1S,3R,6S,8R,11S,12S,14R,15R,16R)-6-hydroxy-15-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate 收自 NPASS。关联生物包括 Grateloupia carnosa。
C32H54O4
式量由分子式和标准同位素质量计算,502.402210。
[(1S,3R,6S,8R,11S,12S,14R,15R,16R)-6-hydroxy-15-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate 收自 NPASS。关联生物包括 Grateloupia carnosa。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C[C@H](CCCC(C)(C)O)[C@H]1[C@@H](C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](CC[C@]54C[C@@]35CC[C@]12C)O)OC(=O)C
InChIKey
JHDNABHKRZPKSC-PLGGWPGBSA-N
CAS:这里用的两张来源表里没有。
IUPAC
[(1S,3R,6S,8R,11S,12S,14R,15R,16R)-6-hydroxy-15-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate