| SpectraBase Compound ID | 4BKkNrYaOzJ |
|---|---|
| InChI | InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19-,32-20+/t34-,35+,39-,40+/m0/s1 |
| InChIKey | OFNSUWBAQRCHAV-TZAPQCRHSA-N |
| Mol Weight | 584.9 g/mol |
| Molecular Formula | C40H56O3 |
| Exact Mass | 584.422946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLzcwE6zolw |
|---|---|
| Name | (3S,5R,6S,3'R)-NEOANTHERAXANTHIN B' |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C40H56O3 |
| InChI | InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19-,32-20+/t34-,35+,39-,40+/m0/s1 |
| InChIKey | OFNSUWBAQRCHAV-TZAPQCRHSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | P.MOLNAR, L.RADICS, J.SZABOLCS (1983) Acta Chimica Hungarica: v.112, N4, 477-485. |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C5D5N pyridine-d5 |