C53H82O14
质量核对：来源记录的单同位素质量与分子式一致（≤ 10 ppm）。 由分子式计算 942.570457。
(2e,4e)-7-hydroxy-2,4-dimethylhepta-2,4-dien-1-yl (2r)-3-[(2s,5r,6r,8s)-8-[(2r,3e)-4-[(2r,4'ar,5r,6's,8'r,8'as)-8'-hydroxy-6'-[(1s,3s)-1-hydroxy-3-[(2s,3r,6s)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoate 收自 LOTUS、COCONUT。关联生物包括 Prorocentrum lima。来源库给出的结构类是「Polyether ionophores」。
学名照录来源库原文，不是重新做的分类鉴定。
SMILES
C=C1[C@@H]([C@@H](O)C[C@H](C)[C@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)OC/C(C)=C/C(C)=C/CCO)CC[C@H]5O)O4)O3)O[C@H]2[C@@H]1O
InChIKey
AORDGQXEQSZPGI-PNDBIGTCSA-N
IUPAC
(2E,4E)-7-hydroxy-2,4-dimethylhepta-2,4-dien-1-yl (2R)-3-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoate
计算描述符（不是实验测定）: XLogP 4.07 · tPSA 192 · HBD 5 · HBA 14 · 原始分类 Polyether ionophores