Azaspiracid-5

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Systematic / IUPAC Name: (5S)-1-C-[(S)-{(2R,3aS,5R,5'R,6S,6''S,7aS)-6''-[(1E)-4-Carboxy-1-buten-1-yl]-6-methyl-2,3,3',3a,4',5'',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-[(1'R,2R,2'S,3R,5S,6'S,8'R,10'R)-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-pe

ID: Reference8292

Other Names:

Formula: C46H69NO13

Class: Natural Toxins

Spectral Data

Azaspiracid-5 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 1446
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/30/2018 11:02:16 AM
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Identificators

InChI InChI=1S/C46H69NO13/c1-25-17-35-40-37(23-44(58-40)28(4)16-26(2)24-47-44)56-43(20-25,55-35)21-27(3)39-30(6)32(48)22-45(52,59-39)41(51)36-19-34-33(53-36)18-29(5)46(57-34)15-14-42(60-46)13-9-11-31(54-42)10-7-8-12-38(49)50/h7,9-10,13,25-26,28-37,39-41,47-48,51-52H,3,8,11-12,14-24H2,1-2,4-6H3,(H,49,50)/b10-7+/t25-,26+,28-,29+,30+,31-,32+,33+,34+,35-,36-,37+,39-,40+,41+,42+,43-,44-,45-,46-/m1/s1
InChI Key VQUZGOMLLDAZQP-XDHYRZQJSA-N
Canonical SMILES C[C@@H]1C[C@@H]2[C@H]3[C@H](C[C@@]4(O3)[C@@H](C[C@@H](CN4)C)C)O[C@@](C1)(O2)CC(=C)[C@@H]5[C@H]([C@H](C[C@@](O5)([C@H]([C@H]6C[C@H]7[C@@H](O6)C[C@@H]([C@@]8(O7)CC[C@@]9(O8)C=CC[C@H](O9)/C=C/CCC(=O)O)C)O)O)O)C
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Other Names

In Other Databases

ChemSpider 29212996
PubChem 131752321
Wikipedia Azaspiracid