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DITAXIN;METHYL_3-BETA,6-BETA-EPOXY-5-BETA-HYDROXY-4,5-DIHYDRO-8'-APO-EPSILON-CAROTEN-8'-OATE
SpectraBase Compound ID hID9UNFgiU
InChI InChI=1S/C31H42O4/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(32)34-8)15-11-16-25(3)19-20-31-29(5,6)21-27(35-31)22-30(31,7)33/h9-20,27,33H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,20-19+,23-13+,24-14+,25-16+,26-18+/t27-,30-,31-/m0/s1
InChIKey LTYWXDKNOZKXJR-WVZBASIFSA-N
Mol Weight 478.7 g/mol
Molecular Formula C31H42O4
Exact Mass 478.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ZIABSAMIZc
Name DITAXIN;METHYL_3-BETA,6-BETA-EPOXY-5-BETA-HYDROXY-4,5-DIHYDRO-8'-APO-EPSILON-CAROTEN-8'-OATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H42O4
InChI InChI=1S/C31H42O4/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(32)34-8)15-11-16-25(3)19-20-31-29(5,6)21-27(35-31)22-30(31,7)33/h9-20,27,33H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,20-19+,23-13+,24-14+,25-16+,26-18+/t27-,30-,31-/m0/s1
InChIKey LTYWXDKNOZKXJR-WVZBASIFSA-N
Literature Reference Author M.D.MENDEZ-ROBLES,H.H.PERMADY,M.E.JARAMILLO-FLORES,E.C.LUGO- CERVANTES,A.CARDADOR
Literature Reference Citation J.NAT.PROD.,69,1140(2006)
Literature Reference DOI 10.1021/np050489f
Molecular Weight 478.672 g/mol
Solvent CDCl3
Source File Reference UWMZ15690