John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6zfInrjyAKp SpectraBase Spectrum ID=10eQ7khoXFu

(accessed ).
(3-R,5'-RS,6'-R)-3',4'-DIDEHYDRO-5',6'-DIHYDRO-BETA,BETA-CAROTEN-3-OL
SpectraBase Compound ID 6zfInrjyAKp
InChI InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,34,36-37,41H,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t34?,36-,37+/m1/s1
InChIKey GZXVFAPDDRVGGD-SIZNUJQASA-N
Mol Weight 552.9 g/mol
Molecular Formula C40H56O
Exact Mass 552.433117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10eQ7khoXFu
Name (3-R,5'-RS,6'-R)-3',4'-DIDEHYDRO-5',6'-DIHYDRO-BETA,BETA-CAROTEN-3-OL
Compound Number 5
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H56O
InChI InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,34,36-37,41H,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t34?,36-,37+/m1/s1
InChIKey GZXVFAPDDRVGGD-SIZNUJQASA-N
Literature Reference Author F.KHACHIK,A.N.CHANG,A.GANA,E.MAZZOLA
Literature Reference Citation J.NAT.PROD.,70,220(2007)
Literature Reference DOI 10.1021/np060575v
Molecular Weight 552.884 g/mol
Sample ID 29627
Solvent CDCl3
SpectraBase Batch ID 83X7OSoTfdy