记录说明
(1R,3S,6S)-6-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl 收自 NPASS。关联生物包括 Cystophora scalaris。
C40H56O4
式量由分子式和标准同位素质量计算,600.417860。
(1R,3S,6S)-6-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl 收自 NPASS。关联生物包括 Cystophora scalaris。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]12C(C)(C)C[C@@H](C[C@@]1(C)O2)O)/C=C/C=C(\C)/C=C/[C@]12C(C)(C)C[C@@H](C[C@@]1(C)O2)O
InChIKey
SZCBXWMUOPQSOX-SHBSHWABSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(1R,3S,6S)-6-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol