C55H80O18
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 1028.534466。
(2e)-2-methyl-4-[(1r,3s,5r,7s,8s,10r,12s,13s,15r,17s,19s,21r,23s,25r,27s,29r,32s,34r,36s,38r,40s,42r,44s,46r,47s,49r,51s,54r,56s,58r,60s)-8,13,47-trihydroxy-3,40,46-trimethyl-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.0³,²⁹.0⁵,²⁷.0⁷,²⁵.0¹⁰,²³.0¹²,²¹.0¹⁵,¹⁹.0³⁴,⁶⁰.0³⁶,⁵⁸.0³⁸,⁵⁶.0⁴⁰,⁵⁴.0⁴²,⁵¹.0⁴⁴,⁴⁹]henhexacontan-17-yl]but-2-enal 收自 LOTUS、COCONUT、NPASS。关联生物包括 Karenia mikimotoi、Gymnodinium mikimotoi。
学名照录来源库原文，不是重新做的分类鉴定。
SMILES
C/C(C=O)=C\C[C@H]1C[C@@H]2O[C@@H]3C[C@@H]4O[C@@H]5C[C@@H]6O[C@@H]7CC[C@@H]8O[C@@H]9C[C@@H]%10O[C@@H]%11C[C@]%12(C)O[C@@H]%13C[C@@H]%14O[C@H](C)[C@@H](O)C[C@H]%14O[C@H]%13CC[C@H]%12O[C@H]%11C[C@H]%10O[C@H]9C[C@H]8O[C@@]7(C)C[C@H]6O[C@H]5[C@@H](O)C[C@H]4O[C@H]3[C@@H](O)C[C@H]2O1
InChIKey
SHYKGRAJWKSPPP-FEPPLQAISA-N
IUPAC
(2E)-2-methyl-4-[(1R,3S,5R,7S,8S,10R,12S,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-8,13,47-trihydroxy-3,40,46-trimethyl-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.0³,²⁹.0⁵,²⁷.0⁷,²⁵.0¹⁰,²³.0¹²,²¹.0¹⁵,¹⁹.0³⁴,⁶⁰.0³⁶,⁵⁸.0³⁸,⁵⁶.0⁴⁰,⁵⁴.0⁴²,⁵¹.0⁴⁴,⁴⁹]henhexacontan-17-yl]but-2-enal
计算描述符（不是实验测定）: XLogP 1.02 · tPSA 207 · HBD 3 · HBA 18