Azaspiracid-10

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Systematic / IUPAC Name: (5S)-1-C-[(R)-{(2S,3aR,5R,5'R,6R,6''R,7aR)-6''-[(1E)-4-Carboxy-1-buten-1-yl]-4'',6-dimethyl-2,3,3',3'',3a,4',6,6'',7,7a-decahydrodispiro[furo[3,2-b]pyran-5,2'-furan-5',2''-pyran]-2-yl}(hydroxy)methyl] -2,4-dideoxy-4-methyl-5-{3-[(2S,2'R,3S,5R,6'R,8'S,10'S)-3,5,10'-trimethyl-8'H-spiro[piperidine-2,4'-[3,7,12]trioxatricyclo[6.3.1.02,6]dodecan]-8'-yl]-1-propen-2-yl}-α-D-erythro-pentopyranose

ID: Reference8291

Other Names:

Formula: C47H71NO13

Class: Natural Toxins

Spectral Data

Azaspiracid-10 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 481
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/30/2018 12:00:08 PM
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Identificators

InChI InChI=1S/C47H71NO13/c1-25-15-32(10-8-9-11-39(50)51)55-43(19-25)12-13-47(61-43)30(6)17-34-35(58-47)18-37(54-34)42(52)46(53)22-33(49)31(7)40(60-46)28(4)21-44-20-26(2)16-36(56-44)41-38(57-44)23-45(59-41)29(5)14-27(3)24-48-45/h8,10,15,26-27,29-38,40-42,48-49,52-53H,4,9,11-14,16-24H2,1-3,5-7H3,(H,50,51)/b10-8+/t26?,27?,29-,30+,31-,32+,33-,34+,35+,36?,37-,38+,40+,41+,42+,43+,44?,45-,46+,47+/m0/s1
InChI Key QQXCTYKJKDIJTK-QCTOEJKISA-N
Canonical SMILES OC(=O)CC/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]([C@H](C3)O)C)O)O)O[C@@H]2C[C@H]1C
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Wikipedia Azaspiracid