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3'-EPIGOBIUSXANTHIN;(3-R,3'-R,6'-R)-7,8-DIDEHYDRO-BETA-EPSILON-CAROTENE-3,3',6'-TRIOL

View entire compound with spectra: 1 NMR

3'-EPIGOBIUSXANTHIN;(3-R,3'-R,6'-R)-7,8-DIDEHYDRO-BETA-EPSILON-CAROTENE-3,3',6'-TRIOL
SpectraBase Compound ID JzIw3rLgMkP
InChI InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-20,23-24,26,35-36,41-43H,25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t35-,36-,40-/m1/s1
InChIKey HBQMPUHSZHRZGF-XRQKZETJSA-N
Mol Weight 582.9 g/mol
Molecular Formula C40H54O3
Exact Mass 582.407296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Z3Vjp4zXkX
Name 3'-EPIGOBIUSXANTHIN;(3-R,3'-R,6'-R)-7,8-DIDEHYDRO-BETA-EPSILON-CAROTENE-3,3',6'-TRIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H54O3
InChI InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-20,23-24,26,35-36,41-43H,25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t35-,36-,40-/m1/s1
InChIKey HBQMPUHSZHRZGF-XRQKZETJSA-N
Literature Reference Author T.MAOKA,N.AKIMOTO,Y.TERADA,S.KOMEMUSHI,R.HARADA,N.SAMESHIMA, Y.SAKAGAMI
Literature Reference Citation J.NAT.PROD.,73,675(2010)
Literature Reference DOI 10.1021/np100021u
Molecular Weight 582.867 g/mol
Sample ID 35321
Solvent CDCl3