C56H84O21S2
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 1156.494652。
[(1r,3s,5r,7s,9r,11s,13r,14s,16r,18s,20r,22s,25r,27s,30s,31r,33r,34r,35s,37s,40s,42r,44s,46r,48s)-34-hydroxy-40-[(2r,3e)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-13-[3-(sulfooxy)propyl]-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.0³,²⁵.0⁵,²².0⁷,²⁰.0⁹,¹⁸.0¹¹,¹⁶.0³¹,⁴⁸.0³³,⁴⁶.0³⁵,⁴⁴.0³⁷,⁴²]nonatetracontan-14-yl]oxidanesulfonic acid 收自 LOTUS、COCONUT。关联生物包括 Protoceratium reticulatum、Gonyaulax grindleyi。
学名照录来源库原文，不是重新做的分类鉴定。
SMILES
C=CCC(=C)/C=C/[C@@](C)(O)[C@H]1O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6C[C@@H]7O[C@@H]8C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@](C)(CCCOS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@H]%11O[C@H]%10C[C@H]9O[C@H]8CC[C@@]7(C)O[C@@]6(C)CC[C@H](C)[C@H]5O[C@@H]4[C@@H](O)[C@]3(C)O[C@H]2CC1=C
InChIKey
RVOXLHZDVJPIKK-SKPZWRALSA-N
CAS：这里用的两张来源表里没有。
IUPAC
[(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33R,34R,35S,37S,40S,42R,44S,46R,48S)-34-hydroxy-40-[(2R,3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-13-[3-(sulfooxy)propyl]-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.0³,²⁵.0⁵,²².0⁷,²⁰.0⁹,¹⁸.0¹¹,¹⁶.0³¹,⁴⁸.0³³,⁴⁶.0³⁵,⁴⁴.0³⁷,⁴²]nonatetracontan-14-yl]oxidanesulfonic acid
计算描述符（不是实验测定）: XLogP 1.38 · tPSA 286 · HBD 4 · HBA 21