| SpectraBase Compound ID | 3o62mK4j5GI |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3/t20?,21-,22?,23?,24-,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | PQQIABJSQBQEFM-GKCUWQLESA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C31H50O5 |
| Exact Mass | 502.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 67gfNPtol63 |
|---|---|
| Name | PQQIABJSQBQEFM-GKCUWQLESA-N |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3/t20?,21-,22?,23?,24-,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | PQQIABJSQBQEFM-GKCUWQLESA-N |
| Literature Reference Author | V.U.AHMAD,W.AHMED,K.USMANGHANI |
| Literature Reference Citation | PHYTOCHEM.,31,2805(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83635-C |
| Molecular Weight | 502.735 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ23271 |