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REL-8-ALPHA-HYDROXY-5-HYDROXYMETHYL-2-METHOXY-8A,BETA-METHYL-3-(N-ACETYL-CYSTEINE)-7,8,8A,9-TETRAHYDRO-1,4-ANTHRACENEDIONE

View entire compound with spectra: 1 NMR

REL-8-ALPHA-HYDROXY-5-HYDROXYMETHYL-2-METHOXY-8A,BETA-METHYL-3-(N-ACETYL-CYSTEINE)-7,8,8A,9-TETRAHYDRO-1,4-ANTHRACENEDIONE
SpectraBase Compound ID Q1aXpGhOA7
InChI InChI=1S/C22H25NO8S/c1-10(25)23-15(21(29)30)9-32-20-18(28)12-6-14-11(8-24)4-5-16(26)22(14,2)7-13(12)17(27)19(20)31-3/h4,6,15-16,24,26H,5,7-9H2,1-3H3,(H,23,25)(H,29,30)/t15-,16+,22-/m0/s1
InChIKey KYHSWVNZGPAECB-DMPWYTOCSA-N
Mol Weight 463.5 g/mol
Molecular Formula C22H25NO8S
Exact Mass 463.130088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jn3gN45Xghk
Name REL-8-ALPHA-HYDROXY-5-HYDROXYMETHYL-2-METHOXY-8A,BETA-METHYL-3-(N-ACETYL-CYSTEINE)-7,8,8A,9-TETRAHYDRO-1,4-ANTHRACENEDIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25NO8S
InChI InChI=1S/C22H25NO8S/c1-10(25)23-15(21(29)30)9-32-20-18(28)12-6-14-11(8-24)4-5-16(26)22(14,2)7-13(12)17(27)19(20)31-3/h4,6,15-16,24,26H,5,7-9H2,1-3H3,(H,23,25)(H,29,30)/t15-,16+,22-/m0/s1
InChIKey KYHSWVNZGPAECB-DMPWYTOCSA-N
Literature Reference Author C.D.O.COSTA,E.D.O.COSTA,F.D.R.FERREIRA,L.D.S.VIANA,L.V.D.SIL VA,F.D.A.D.S.SILVA
Literature Reference Citation J.BRAZ.CHEM.SOC.,23,1174(2012)
Literature Reference DOI 10.1590/s0103-50532012000600024
Molecular Weight 463.502 g/mol
Source File Reference UWBT5451