记录说明
(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-1-[(1~{R},4~{S})-1,4-dihydroxy-2,2-dimethyl-6-methylene-cyclohexyl]-18-[(1~{R},2~{R},5~{R},6~{S})-5-hydroxy-1,3,3-trimethyl-7-oxabicy 收自 NPASS。关联生物包括 Prasinococcus capsulatus。
C40H58O5
式量由分子式和标准同位素质量计算,618.428425。
(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-1-[(1~{R},4~{S})-1,4-dihydroxy-2,2-dimethyl-6-methylene-cyclohexyl]-18-[(1~{R},2~{R},5~{R},6~{S})-5-hydroxy-1,3,3-trimethyl-7-oxabicy 收自 NPASS。关联生物包括 Prasinococcus capsulatus。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C=C1C[C@@H](O)CC(C)(C)[C@]1(O)CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC[C@@H]1C(C)(C)C[C@@H](O)[C@@H]2O[C@]12C
InChIKey
TZIQGXRIFCNVHM-OWAUYRPESA-N
IUPAC
(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-1-[(1~{R},4~{S})-1,4-dihydroxy-2,2-dimethyl-6-methylene-cyclohexyl]-18-[(1~{R},2~{R},5~{R},6~{S})-5-hydroxy-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-yl]-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15-heptaen-2-one