C60H84O16
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 1060.575937。
(1r,3s,6r,8s,10r,12s,16r,18r,19r,20s,22r,25s,27r,29z,32s,34r,36s,38r,40s,42r,43s,44s,45s,47s,48s,49s,50r,52s,54r,56r,58s,59r)-16-[(1e)-buta-1,3-dien-1-yl]-43,44,49,54,58-pentamethyl-2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxaspiro[dodecacyclo[30.28.0.0³,²⁷.0⁶,²⁵.0⁸,²².0¹⁰,²⁰.0¹²,¹⁸.0³⁴,⁵⁸.0³⁶,⁵⁶.0³⁸,⁵².0⁴⁰,⁵⁰.0⁴²,⁴⁷]hexacontane-45,2'-oxolane]-4,14,23,29-tetraene-19,48,59-triol 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=C/C=C/[C@H]1C=CC[C@@H]2O[C@@H]3C[C@@H]4O[C@@H]5C=C[C@@H]6O[C@@H]7C[C@@H](O)[C@]8(C)O[C@@H]9C[C@H](C)C[C@@H]%10O[C@H]%11[C@H](C[C@H]%10O[C@H]9C[C@H]8O[C@H]7C/C=C\C[C@H]6O[C@H]5C=C[C@H]4O[C@H]3[C@H](O)[C@H]2O1)O[C@@H]1[C@@H](C)[C@H](C)[C@]2(CCCO2)O[C@H]1[C@@H](O)[C@@H]%11C
InChIKey
QFYRPKKCVYDHFZ-RTSUAIAASA-N
CAS
IUPAC
(1R,3S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29Z,32S,34R,36S,38R,40S,42R,43S,44S,45S,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(1E)-buta-1,3-dien-1-yl]-43,44,49,54,58-pentamethyl-2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxaspiro[dodecacyclo[30.28.0.0³,²⁷.0⁶,²⁵.0⁸,²².0¹⁰,²⁰.0¹²,¹⁸.0³⁴,⁵⁸.0³⁶,⁵⁶.0³⁸,⁵².0⁴⁰,⁵⁰.0⁴²,⁴⁷]hexacontane-45,2'-oxolane]-4,14,23,29-tetraene-19,48,59-triol
计算描述符（不是实验测定）: XLogP 4.40 · HBD 3 · HBA 16