| SpectraBase Compound ID | CnFHH37VVXx |
|---|---|
| InChI | InChI=1S/C40H54O5/c1-28(16-12-18-30(3)36(44)23-37-39(7,8)25-34(43)26-40(37,9)45)14-10-11-15-29(2)17-13-19-32(27-41)20-21-35-31(4)22-33(42)24-38(35,5)6/h10-19,23,33-34,41-43,45H,22,24-27H2,1-9H3/b11-10+,16-12+,17-13+,28-14+,29-15+,30-18+,32-19-,37-23-/t33-,34+,40-/m1/s1 |
| InChIKey | FLFJZZNKVVNCFQ-WUXMFVDVSA-N |
| Mol Weight | 614.9 g/mol |
| Molecular Formula | C40H54O5 |
| Exact Mass | 614.397125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HlJzATRO9Ul |
|---|---|
| Name | (3-R,3'-R,5-S)-3,3',5,19'-TETRAHYDROXY-7',8'-DIDEHYDRO-GAMMA,EPSILON-CAROTENE-8-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54O5 |
| InChI | InChI=1S/C40H54O5/c1-28(16-12-18-30(3)36(44)23-37-39(7,8)25-34(43)26-40(37,9)45)14-10-11-15-29(2)17-13-19-32(27-41)20-21-35-31(4)22-33(42)24-38(35,5)6/h10-19,23,33-34,41-43,45H,22,24-27H2,1-9H3/b11-10+,16-12+,17-13+,28-14+,29-15+,30-18+,32-19-,37-23-/t33-,34+,40-/m1/s1 |
| InChIKey | FLFJZZNKVVNCFQ-WUXMFVDVSA-N |
| Literature Reference Author | E.W.ROGERS,T.F.MOLINSKI |
| Literature Reference Citation | J.NAT.PROD.,68,450(2005) |
| Literature Reference DOI | 10.1021/np0497797 |
| Molecular Weight | 614.866 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ7627 |