Azaspiracid-9

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Systematic / IUPAC Name:

ID: Reference8293

Other Names:

Formula: C47H71NO13

Class: Natural Toxins

Spectral Data

Azaspiracid-9 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 822
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/30/2018 12:14:22 PM
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Identificators

InChI InChI=1S/C47H71NO13/c1-25-15-33(9-8-32(49)18-39(50)51)55-43(20-25)12-13-47(61-43)31(7)17-34-35(58-47)19-37(54-34)42(52)46(53)11-10-28(4)40(60-46)29(5)22-44-21-26(2)16-36(56-44)41-38(57-44)23-45(59-41)30(6)14-27(3)24-48-45/h8-9,15,26-28,30-38,40-42,48-49,52-53H,5,10-14,16-24H2,1-4,6-7H3,(H,50,51)/b9-8+/t26?,27?,28-,30-,31+,32-,33+,34+,35+,36?,37-,38+,40-,41+,42+,43+,44?,45-,46+,47+/m0/s1
InChI Key BHQGPJLTVIGZOC-KUVDYTOOSA-N
Canonical SMILES OC(=O)C[C@H](/C=C/[C@H]1O[C@]2(CC(=C1)C)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](CC3)C)O)O)O[C@@H]2C[C@H]1C)O
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Other Names

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Wikipedia Azaspiracid