John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IVRDtehPVlC SpectraBase Spectrum ID=6hlmQ6Aqg5K

(accessed ).
(1R,3S,4S,5S,7R,9R,10R,11R)-7,9-DIHYDROXY-1-PARA-NITROBENZOYLOXYLONGIPINANE
SpectraBase Compound ID IVRDtehPVlC
InChI InChI=1S/C22H29NO6/c1-11-9-14(29-20(26)12-5-7-13(8-6-12)23(27)28)18-19-17(11)22(18,4)16(25)10-15(24)21(19,2)3/h5-8,11,14-19,24-25H,9-10H2,1-4H3/t11-,14+,15+,16-,17+,18-,19+,22-/m0/s1
InChIKey CRMJOLZOPUGJJR-TXYCOTODSA-N
Mol Weight 403.48 g/mol
Molecular Formula C22H29NO6
Exact Mass 403.199488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hlmQ6Aqg5K
Name (1R,3S,4S,5S,7R,9R,10R,11R)-7,9-DIHYDROXY-1-PARA-NITROBENZOYLOXYLONGIPINANE
Compound Number 34
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29NO6
InChI InChI=1S/C22H29NO6/c1-11-9-14(29-20(26)12-5-7-13(8-6-12)23(27)28)18-19-17(11)22(18,4)16(25)10-15(24)21(19,2)3/h5-8,11,14-19,24-25H,9-10H2,1-4H3/t11-,14+,15+,16-,17+,18-,19+,22-/m0/s1
InChIKey CRMJOLZOPUGJJR-TXYCOTODSA-N
Literature Reference Author M.MELENDEZ-RODRIGUEZ,C.M.CERDA-GARCIA-ROJAS,P.JOSEPH-NATHAN
Literature Reference Citation J.NAT.PROD.,65,1398(2002)
Literature Reference DOI 10.1021/np020158s
Molecular Weight 403.475 g/mol
Solvent CDCl3
Source File Reference UWBS1585
SpectraBase Batch ID IG0jBS3iDNq