| SpectraBase Compound ID | IouUUOfOkwj |
|---|---|
| InChI | InChI=1S/C54H84O6/c1-12-13-14-15-16-17-18-19-20-21-22-33-51(58)60-48(38-46(6)55)41-53(9,10)50(57)37-35-45(5)32-26-30-43(3)28-24-23-27-42(2)29-25-31-44(4)34-36-49-52(7,8)39-47(56)40-54(49,11)59/h23-32,34-35,37,46-48,55-56,59H,12-22,33,38-41H2,1-11H3/b24-23+,29-25+,30-26+,37-35+,42-27+,43-28+,44-31+,45-32+/t36?,46?,47-,48-,54+/m0/s1 |
| InChIKey | XPBKYMYRPVHTAU-WCKNYLPASA-N |
| Mol Weight | 829.3 g/mol |
| Molecular Formula | C54H84O6 |
| Exact Mass | 828.62679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LOFLXKnDEvz |
|---|---|
| Name | (3S,3'S,5'R,6'R)-3-TETRADECANOYLOXY-5,3',5'-TRIHYDROXY-6',7'-DIDEHYDRO-5',6'-DIHYDRO-5,6-SECO-BETA,BETA-CAROTEN-6-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H84O6 |
| InChI | InChI=1S/C54H84O6/c1-12-13-14-15-16-17-18-19-20-21-22-33-51(58)60-48(38-46(6)55)41-53(9,10)50(57)37-35-45(5)32-26-30-43(3)28-24-23-27-42(2)29-25-31-44(4)34-36-49-52(7,8)39-47(56)40-54(49,11)59/h23-32,34-35,37,46-48,55-56,59H,12-22,33,38-41H2,1-11H3/b24-23+,29-25+,30-26+,37-35+,42-27+,43-28+,44-31+,45-32+/t36?,46?,47-,48-,54+/m0/s1 |
| InChIKey | XPBKYMYRPVHTAU-WCKNYLPASA-N |
| Literature Reference Author | T.MAOKA,Y.FUJIWARA,K.HASHIMOTO,N.AKIMOTO |
| Literature Reference Citation | PHYTOCHEM.,67,2120(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.05.040 |
| Molecular Weight | 829.257 g/mol |
| Sample ID | 67126 |
| Solvent | CDCl3 |