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11,12-DIHYDROXY-STEMOFOLINE

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11,12-DIHYDROXY-STEMOFOLINE
SpectraBase Compound ID AlKxuT7KVvj
InChI InChI=1S/C22H31NO7/c1-5-6-8-19-14-7-9-23(19)13-10-15(19)28-20(14)16(13)12(3)21(25,30-20)22(26)17(27-4)11(2)18(24)29-22/h12-16,25-26H,5-10H2,1-4H3/t12-,13+,14+,15+,16+,19-,20+,21+,22+/m0/s1
InChIKey QRPLLGRSWMMQCB-VDNNIWKZSA-N
Mol Weight 421.49 g/mol
Molecular Formula C22H31NO7
Exact Mass 421.210052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fdTJLybBTN
Name 11,12-DIHYDROXY-STEMOFOLINE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NO7
InChI InChI=1S/C22H31NO7/c1-5-6-8-19-14-7-9-23(19)13-10-15(19)28-20(14)16(13)12(3)21(25,30-20)22(26)17(27-4)11(2)18(24)29-22/h12-16,25-26H,5-10H2,1-4H3/t12-,13+,14+,15+,16+,19-,20+,21+,22+/m0/s1
InChIKey QRPLLGRSWMMQCB-VDNNIWKZSA-N
Literature Reference Author K.SASTRARUJI,T.SASTRARUJI,S.G.PYNE,A.T.UNG,A.JATISATIENR,W.L IE
Literature Reference Citation J.NAT.PROD.,73,935(2010)
Literature Reference DOI 10.1021/np100137h
Molecular Weight 421.491 g/mol
Sample ID 35575
Solvent CD3OD