John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=wJqRIKKKHt SpectraBase Spectrum ID=CSIGfVcijtR

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CHABROLONAPHTHOQUINONE_B
SpectraBase Compound ID wJqRIKKKHt
InChI InChI=1S/C29H38O5/c1-19(2)9-8-16-29(6,33)27(34-22(5)30)15-12-20(3)10-7-11-23-13-14-24-25(18-23)28(32)21(4)17-26(24)31/h9-10,13-14,17-18,27,33H,7-8,11-12,15-16H2,1-6H3/b20-10+/t27-,29?/m1/s1
InChIKey APLJEPSIIBHUPN-ACTSGLRVSA-N
Mol Weight 466.6 g/mol
Molecular Formula C29H38O5
Exact Mass 466.271925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSIGfVcijtR
Name CHABROLONAPHTHOQUINONE_B
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38O5
InChI InChI=1S/C29H38O5/c1-19(2)9-8-16-29(6,33)27(34-22(5)30)15-12-20(3)10-7-11-23-13-14-24-25(18-23)28(32)21(4)17-26(24)31/h9-10,13-14,17-18,27,33H,7-8,11-12,15-16H2,1-6H3/b20-10+/t27-,29?/m1/s1
InChIKey APLJEPSIIBHUPN-ACTSGLRVSA-N
Literature Reference Author J.H.SU,A.F.AHMED,P.J.SUNG,Y.C.WU,J.H.SHEU
Literature Reference Citation J.NAT.PROD.,68,1651(2005)
Literature Reference DOI 10.1021/np050278a
Molecular Weight 466.618 g/mol
Solvent CDCl3
Source File Reference UWMZ13093
SpectraBase Batch ID 4pVPSQKyu0A