For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Lapachol - .beta.-glucoside
SpectraBase Compound ID Iw0KixSROOb
InChI InChI=1S/C21H24O8/c1-10(2)7-8-13-15(23)11-5-3-4-6-12(11)16(24)20(13)29-21-19(27)18(26)17(25)14(9-22)28-21/h3-7,14,17-19,21-22,25-27H,8-9H2,1-2H3/t14-,17-,18+,19-,21+/m1/s1
InChIKey MKAKTBOZNCNAHP-VPRICQMDSA-N
Mol Weight 404.42 g/mol
Molecular Formula C21H24O8
Exact Mass 404.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID fuFTDo5AOK
Name Lapachol - .beta.-glucoside
Alternate Name(s) 2-(3-Methylbut-2-enyl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]naphthalene-1,4-dione 2-(3-Methylbut-2-enyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-1,4-dione 2-(3-Methylbut-2-enyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-naphthalene-1,4-dione 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O8
InChI InChI=1S/C21H24O8/c1-10(2)7-8-13-15(23)11-5-3-4-6-12(11)16(24)20(13)29-21-19(27)18(26)17(25)14(9-22)28-21/h3-7,14,17-19,21-22,25-27H,8-9H2,1-2H3/t14-,17-,18+,19-,21+/m1/s1
InChIKey MKAKTBOZNCNAHP-VPRICQMDSA-N
Molecular Weight 404.415 g/mol
SMILES O[C@]1([C@@]([C@@](CO)(O[C@]([C@@]1(O)[H])(OC1=C(C(=O)c2c(C1=O)cccc2)CC=C(C)C)[H])[H])(O)[H])[H]
SPLASH splash10-004i-2790200000-89f442ab0f7e12b45730
Source of Spectrum X2-44-567-4
Wiley ID 1600927