Azaspiracid-8

enlarge

Systematic / IUPAC Name:

ID: Reference8295

Other Names:

Formula: C47H71NO13

Class: Natural Toxins

Spectral Data

Azaspiracid-8 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 2215
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/5/2018 8:30:02 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C47H71NO13/c1-25-18-35-41-37(23-45(59-41)28(4)17-26(2)24-48-45)57-44(21-25,56-35)22-27(3)40-30(6)39(51)31(7)47(53,60-40)42(52)36-20-34-33(54-36)19-29(5)46(58-34)16-15-43(61-46)14-10-12-32(55-43)11-8-9-13-38(49)50/h8,10-12,25-26,28-37,39-42,48,51-53H,3,9,13-24H2,1-2,4-7H3,(H,49,50)/b11-8+/t25?,26?,28-,29+,30-,31+,32+,33+,34+,35?,36-,37+,39+,40+,41+,42+,43-,44?,45-,46+,47+/m0/s1
InChI Key VTXJIDBQMAXDIY-CQQSUDGLSA-N
Canonical SMILES OC(=O)CC/C=C/[C@H]1O[C@]2(CC=C1)CC[C@]1(O2)O[C@@H]2C[C@@H]([C@H]([C@@]3(O[C@H](C(=C)CC45CC(C)C[C@H](O4)[C@H]4O[C@@]6(NCC(C)C[C@@H]6C)C[C@H]4O5)[C@H]([C@H]([C@H]3C)O)C)O)O)O[C@@H]2C[C@H]1C
CAS
Splash
Other Names

In Other Databases

Wikipedia Azaspiracid