| SpectraBase Compound ID | 1ozESmgq3C0 |
|---|---|
| InChI | InChI=1S/C30H36O9/c1-16-22(15-35-21-10-8-20-9-11-25(34)39-23(20)14-21)30(7)13-12-24(36-17(2)31)29(5,6)28(30)27(38-19(4)33)26(16)37-18(3)32/h8-11,14,22,24,26-28H,1,12-13,15H2,2-7H3/t22-,24-,26-,27+,28+,30-/m0/s1 |
| InChIKey | XDOWTUBWKWJVET-JDELDFMMSA-N |
| Mol Weight | 540.6 g/mol |
| Molecular Formula | C30H36O9 |
| Exact Mass | 540.235933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSdkoT5Nv3t |
|---|---|
| Name | ASSAFOETIDNOL-B-DIACETATE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H36O9 |
| InChI | InChI=1S/C30H36O9/c1-16-22(15-35-21-10-8-20-9-11-25(34)39-23(20)14-21)30(7)13-12-24(36-17(2)31)29(5,6)28(30)27(38-19(4)33)26(16)37-18(3)32/h8-11,14,22,24,26-28H,1,12-13,15H2,2-7H3/t22-,24-,26-,27+,28+,30-/m0/s1 |
| InChIKey | XDOWTUBWKWJVET-JDELDFMMSA-N |
| Literature Reference Author | M.H.A.EL-RAZEK,S.OHTA,A.A.AHMED,T.HIRATA |
| Literature Reference Citation | PHYTOCHEM.,58,1289(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00324-7 |
| Molecular Weight | 540.610 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3191 |