C65H100O19
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 1184.685881。
(3r)-5-{[(2s,3e)-5-[(1s,3r,5s,7r,9s,11r,14r,16s,17s,18r,20s,21s,22z,25r,27s,29r,31s,34s,35s,37r,39s,41r)-35-[(2r)-3-[(2r,4s,5r)-5-[(2r)-1-carboxypropan-2-yl]-4-methyloxolan-2-yl]-2-hydroxypropyl]-17,34-dihydroxy-9,18,21,27,29-pentamethyl-12-methylidene-2,6,10,15,19,26,30,36,40-nonaoxanonacyclo[23.18.0.0³,²⁰.0⁵,¹⁸.0⁷,¹⁶.0⁹,¹⁴.0²⁷,⁴¹.0²⁹,³⁹.0³¹,³⁷]tritetracont-22-en-11-yl]-2,4-dimethylpent-3-en-1-yl]oxy}-3-methyl-5-oxopentanoic acid 收自 LOTUS、COCONUT。关联生物包括 Gambierdiscus toxicus。
学名照录来源库原文，不是重新做的分类鉴定。
SMILES
C=C1C[C@H]2O[C@H]3[C@H](O)[C@@]4(C)O[C@H]5[C@@H](C)/C=C\C[C@H]6O[C@@]7(C)C[C@@]8(C)O[C@H]9CC[C@H](O)[C@H](C[C@H](O)C[C@H]%10C[C@H](C)[C@H]([C@H](C)CC(=O)O)O%10)O[C@@H]9C[C@@H]8O[C@@H]7CC[C@@H]6O[C@@H]5C[C@@H]4O[C@@H]3C[C@]2(C)O[C@@H]1C/C(C)=C/[C@H](C)COC(=O)C[C@H](C)CC(=O)O
InChIKey
PAZSGUQEBJPONR-WBRPCZMFSA-N
CAS：这里用的两张来源表里没有。
IUPAC
(3R)-5-{[(2S,3E)-5-[(1S,3R,5S,7R,9S,11R,14R,16S,17S,18R,20S,21S,22Z,25R,27S,29R,31S,34S,35S,37R,39S,41R)-35-[(2R)-3-[(2R,4S,5R)-5-[(2R)-1-carboxypropan-2-yl]-4-methyloxolan-2-yl]-2-hydroxypropyl]-17,34-dihydroxy-9,18,21,27,29-pentamethyl-12-methylidene-2,6,10,15,19,26,30,36,40-nonaoxanonacyclo[23.18.0.0³,²⁰.0⁵,¹⁸.0⁷,¹⁶.0⁹,¹⁴.0²⁷,⁴¹.0²⁹,³⁹.0³¹,³⁷]tritetracont-22-en-11-yl]-2,4-dimethylpent-3-en-1-yl]oxy}-3-methyl-5-oxopentanoic acid
计算描述符（不是实验测定）: XLogP 4.50 · tPSA 254 · HBD 5 · HBA 19