C49H72O13
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 868.497292。
(1s,3r,4s,6s,8r,10r,12s,16r,18s,20r,22s,24z,27r,29s,33r,35s,37r,39r,41s,42s,44r,46s,48r,49z)-41-hydroxy-39-(3-hydroxy-2-methylidenepropyl)-4,8,10,46-tetramethyl-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.0³,²².0⁶,²⁰.0⁸,¹⁸.0¹²,¹⁶.0²⁹,⁴⁸.0³³,⁴⁶.0³⁵,⁴⁴.0³⁷,⁴²]henpentaconta-24,49-dien-14-one 收自 LOTUS、COCONUT。关联生物包括 Gymnodinium breve、Karenia brevis。
学名照录来源库原文，不是重新做的分类鉴定。
SMILES
C=C(CO)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5/C=C\C[C@@H]6O[C@@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7C/C=C\C[C@H]6O[C@H]5CCC[C@H]4O[C@H]3C[C@H]2O1
InChIKey
IEFXZGKZRQKMII-HQUFVKSZSA-N
CAS：这里用的两张来源表里没有。
IUPAC
(1S,3R,4S,6S,8R,10R,12S,16R,18S,20R,22S,24Z,27R,29S,33R,35S,37R,39R,41S,42S,44R,46S,48R,49Z)-41-hydroxy-39-(3-hydroxy-2-methylidenepropyl)-4,8,10,46-tetramethyl-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.0³,²².0⁶,²⁰.0⁸,¹⁸.0¹²,¹⁶.0²⁹,⁴⁸.0³³,⁴⁶.0³⁵,⁴⁴.0³⁷,⁴²]henpentaconta-24,49-dien-14-one
计算描述符（不是实验测定）: XLogP 3.55 · tPSA 150 · HBD 2 · HBA 13