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1-[2',3',4',6'-tetrakis(Acetyloxy)-.beta.-D-glucopyranosyl]-brassenin A
SpectraBase Compound ID 1rbNvec8jUo
InChI InChI=1S/C26H32N2O9S2/c1-14(29)33-13-21-22(34-15(2)30)23(35-16(3)31)24(36-17(4)32)25(37-21)28-12-18(11-27-26(38-5)39-6)19-9-7-8-10-20(19)28/h7-10,12,21-25H,11,13H2,1-6H3/t21-,22-,23+,24-,25-/m1/s1
InChIKey LNKSQKJYXZRLHP-NHTNDUFYSA-N
Mol Weight 580.7 g/mol
Molecular Formula C26H32N2O9S2
Exact Mass 580.154923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNgoqQyQMbk
Name 1-[2',3',4',6'-tetrakis(Acetyloxy)-.beta.-D-glucopyranosyl]-brassenin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N2O9S2
InChI InChI=1S/C26H32N2O9S2/c1-14(29)33-13-21-22(34-15(2)30)23(35-16(3)31)24(36-17(4)32)25(37-21)28-12-18(11-27-26(38-5)39-6)19-9-7-8-10-20(19)28/h7-10,12,21-25H,11,13H2,1-6H3/t21-,22-,23+,24-,25-/m1/s1
InChIKey LNKSQKJYXZRLHP-NHTNDUFYSA-N
Molecular Weight 580.667 g/mol
SMILES [C@@]1([n]2cc(CN=C(SC)SC)c3c2cccc3)([C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-0006-9200100000-ad0de55bd982762f9573
Source of Spectrum G-69-860-19
Synonyms Acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[3-[[bis(methylthio)methylideneamino]methyl]-1-indolyl]-2-oxanyl]methyl ester [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[3-[[bis(methylsulfanyl)methylideneamino]methyl]indol-1-yl]oxan-2-yl]methyl acetate [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[3-[[bis(methylsulfanyl)methyleneamino]methyl]indol-1-yl]tetrahydropyran-2-yl]methyl acetate [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[3-[[bis(methylsulfanyl)methylideneamino]methyl]indol-1-yl]oxan-2-yl]methyl ethanoate
Wiley ID 1559643