| SpectraBase Compound ID | 4lBt1GlmEyL |
|---|---|
| InChI | InChI=1S/C40H54O4/c1-28(17-13-19-30(3)21-23-34-32(5)37(43)35(42)27-38(34,6)7)15-11-12-16-29(2)18-14-20-31(4)22-24-36-39(8,9)25-33(41)26-40(36,10)44/h11-23,33,35,41-42,44H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,28-15+,29-16+,30-19+,31-20+/t24?,33-,35-,40+/m0/s1 |
| InChIKey | ZPTLDAKBBBVLKH-HRFXNPMVSA-N |
| Mol Weight | 598.9 g/mol |
| Molecular Formula | C40H54O4 |
| Exact Mass | 598.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3h3DuMIXwiP |
|---|---|
| Name | 4-KETODEEPOXYNEOXANTHIN;3,3',5'-TRIHYDROXY-6',7'-DIDEHYDRO-5',6'-DIHYDRO-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 | C40H54O4 |
| InChI | InChI=1S/C40H54O4/c1-28(17-13-19-30(3)21-23-34-32(5)37(43)35(42)27-38(34,6)7)15-11-12-16-29(2)18-14-20-31(4)22-24-36-39(8,9)25-33(41)26-40(36,10)44/h11-23,33,35,41-42,44H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,28-15+,29-16+,30-19+,31-20+/t24?,33-,35-,40+/m0/s1 |
| InChIKey | ZPTLDAKBBBVLKH-HRFXNPMVSA-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 | 598.866 g/mol |
| Sample ID | 35319 |
| Solvent | CDCl3 |