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Allopumiliotoxin 339 A
SpectraBase Compound ID FJRxgZyxrTD
InChI InChI=1S/C19H33NO4/c1-12(7-8-13(2)17(22)14(3)21)10-15-11-20-9-5-6-16(20)19(4,24)18(15)23/h8,10,12,14,16-18,21-24H,5-7,9,11H2,1-4H3/b13-8+,15-10+
InChIKey ROTIYIHXOAYCEN-LFLKHMTOSA-N
Mol Weight 339.5 g/mol
Molecular Formula C19H33NO4
Exact Mass 339.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B70kJmayxgb
Name (6E)-6-[(4E)-6,7-Dihydroxy-2,5-dimethyl-4-octenylidene]-8-methyloctahydro-7,8-indolizinediol
CAS Registry Number 92216-56-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H33NO4
InChI InChI=1S/C19H33NO4/c1-12(7-8-13(2)17(22)14(3)21)10-15-11-20-9-5-6-16(20)19(4,24)18(15)23/h8,10,12,14,16-18,21-24H,5-7,9,11H2,1-4H3/b13-8+,15-10+
InChIKey ROTIYIHXOAYCEN-LFLKHMTOSA-N
Molecular Weight 339.476 g/mol
SMILES OC1(C2N(C\C(=C/C(C\C=C\(C(C(C)O)O)C)C)C1O)CCC2)C
SPLASH splash10-00di-9610000000-ac7bc9aac3335e81f0ce
Source of Spectrum NP-12-2010-0
Synonyms Allopumiliotoxin 339a (6E)-6-[(E)-6,7-dihydroxy-2,5-dimethyloct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol (6E)-6-[(E)-6,7-dihydroxy-2,5-dimethyl-oct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol (6E)-6-[(E)-2,5-dimethyl-6,7-bis(oxidanyl)oct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
Wiley ID 1110146