记录说明
[3-[(~{E})-4-[(1~{R},3'~{S},4~{a}~{R},7~{a}~{R})-3'-acetoxy-2',2',4~{a},7~{a}-tetramethyl-spiro[6,7-dihydro-5~{H}-cyclopenta[c]pyran-1,5'-tetrahydrofuran]-3-yl]-3-methyl-but-2-enyl 收自 NPASS。关联生物包括 Cystophora fibrosa。
C33H44O8
式量由分子式和标准同位素质量计算,568.303618。
[3-[(~{E})-4-[(1~{R},3'~{S},4~{a}~{R},7~{a}~{R})-3'-acetoxy-2',2',4~{a},7~{a}-tetramethyl-spiro[6,7-dihydro-5~{H}-cyclopenta[c]pyran-1,5'-tetrahydrofuran]-3-yl]-3-methyl-but-2-enyl 收自 NPASS。关联生物包括 Cystophora fibrosa。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC(=O)OC1=CC(C)=C(OC(C)=O)C(C/C=C(\C)CC2=C[C@@]3(C)CCC[C@@]3(C)[C@]3(C[C@H](OC(C)=O)C(C)(C)O3)O2)=C1
InChIKey
ZXQJQBWEZUVPAA-JKZUHSQGSA-N
CAS:这里用的两张来源表里没有。
IUPAC
[3-[(~{E})-4-[(1~{R},3'~{S},4~{a}~{R},7~{a}~{R})-3'-acetoxy-2',2',4~{a},7~{a}-tetramethyl-spiro[6,7-dihydro-5~{H}-cyclopenta[c]pyran-1,5'-tetrahydrofuran]-3-yl]-3-methyl-but-2-enyl]-4-acetoxy-5-methyl-phenyl] acetate