| SpectraBase Compound ID | Jro3oMPCM3C |
|---|---|
| InChI | InChI=1S/C52H74O13/c1-30(17-13-19-32(3)21-23-37-34(5)25-36(26-51(37,7)8)62-49-47(60)45(58)43(56)40(28-53)64-49)15-11-12-16-31(2)18-14-20-33(4)22-24-38-35(6)42(55)39(27-52(38,9)10)63-50-48(61)46(59)44(57)41(29-54)65-50/h11-24,36,39-41,43-50,53-54,56-61H,25-29H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,30-15+,31-16+,32-19+,33-20+/t36-,39+,40+,41-,43+,44-,45-,46+,47+,48-,49+,50-/m1/s1 |
| InChIKey | XLDISQUNHMNBJO-PREHFDHNSA-N |
| Mol Weight | 907.2 g/mol |
| Molecular Formula | C52H74O13 |
| Exact Mass | 906.512942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KmbX71IDr |
|---|---|
| Name | ADONIXANTHIN-DIGLUCOSIDE;4-KETOZEAXANTHIN-DIGLUCOSIDE;(3-S,3'-R)-3,3'-DI-(BETA-D-GLUCOPYRANOSYLOXY)-BETA,BETA-CAROTEN-4-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H74O13 |
| InChI | InChI=1S/C52H74O13/c1-30(17-13-19-32(3)21-23-37-34(5)25-36(26-51(37,7)8)62-49-47(60)45(58)43(56)40(28-53)64-49)15-11-12-16-31(2)18-14-20-33(4)22-24-38-35(6)42(55)39(27-52(38,9)10)63-50-48(61)46(59)44(57)41(29-54)65-50/h11-24,36,39-41,43-50,53-54,56-61H,25-29H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,30-15+,31-16+,32-19+,33-20+/t36-,39+,40+,41-,43+,44-,45-,46+,47+,48-,49+,50-/m1/s1 |
| InChIKey | XLDISQUNHMNBJO-PREHFDHNSA-N |
| Literature Reference Author | S.TAKAICHI,T.MAOKA,N.AKIMOTO,S.T.KHAN,S.HARAYAMA |
| Literature Reference Citation | J.NAT.PROD.,69,1823(2006) |
| Literature Reference DOI | 10.1021/np060365i |
| Molecular Weight | 907.152 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ17384 |