John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IeIM0lKbNeo SpectraBase Spectrum ID=8kE1odbz36G

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REMANGILONE-C
SpectraBase Compound ID IeIM0lKbNeo
InChI InChI=1S/C28H40O4/c1-15-18-10-12-27(5)21(26(18,4)14-20(29)22(15)30)8-7-19-17-13-25(2,3)11-9-16(17)23(31)24(32)28(19,27)6/h7,16-18,21,24,30,32H,8-14H2,1-6H3/t16-,17+,18-,21+,24-,26-,27+,28-/m0/s1
InChIKey QQWIUBKPPNCYMY-JHYKCHHWSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kE1odbz36G
Name REMANGILONE-C
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O4
InChI InChI=1S/C28H40O4/c1-15-18-10-12-27(5)21(26(18,4)14-20(29)22(15)30)8-7-19-17-13-25(2,3)11-9-16(17)23(31)24(32)28(19,27)6/h7,16-18,21,24,30,32H,8-14H2,1-6H3/t16-,17+,18-,21+,24-,26-,27+,28-/m0/s1
InChIKey QQWIUBKPPNCYMY-JHYKCHHWSA-N
Literature Reference Author Y.DENG,T.Y.JIANG,S.SHENG,M.TIANASOA-RAMAMONJY,J.K.SNYDER
Literature Reference Citation J.NAT.PROD.,62,471(1999)
Literature Reference DOI 10.1021/np9805140
Molecular Weight 440.623 g/mol
Solvent CDCl3
Source File Reference UWCP7966
SpectraBase Batch ID 7LFCVtvqco6