C50H70O14
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 894.476557。
2-{[(1s,3s,5s,7r,9r,11r,12s,14r,16r,18s,20r,21z,24s,26s,28s,30s,31r,33s,35r,37r,42r,44r,46s,48s)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.0³,²⁶.0⁵,²⁴.0⁷,²⁰.0⁹,¹⁸.0¹¹,¹⁶.0³⁰,⁴⁸.0³³,⁴⁶.0³⁵,⁴⁴.0³⁷,⁴²]pentaconta-21,40-dien-14-yl]methyl}prop-2-enal 收自 LOTUS、COCONUT。关联生物包括 Karenia brevis。
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@@H]1C[C@H](O)[C@@]2(C)O[C@@H]3C[C@H]4O[C@H]5C[C@]6(C)O[C@@]7(C)CC[C@@H]8O[C@H]9C[C@@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@@H]8O[C@H]7C[C@@H]6O[C@@]5(C)C/C=C\[C@H]4O[C@H]3C[C@H]2O1
InChIKey
LYTCVQQGCSNFJU-UBXUVXOYSA-N
CAS：这里用的两张来源表里没有。
IUPAC
2-{[(1S,3S,5S,7R,9R,11R,12S,14R,16R,18S,20R,21Z,24S,26S,28S,30S,31R,33S,35R,37R,42R,44R,46S,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.0³,²⁶.0⁵,²⁴.0⁷,²⁰.0⁹,¹⁸.0¹¹,¹⁶.0³⁰,⁴⁸.0³³,⁴⁶.0³⁵,⁴⁴.0³⁷,⁴²]pentaconta-21,40-dien-14-yl]methyl}prop-2-enal
计算描述符（不是实验测定）: XLogP 3.57 · tPSA 156 · HBD 1 · HBA 14