| SpectraBase Compound ID | DimGi9lF2wc |
|---|---|
| InChI | InChI=1S/C30H46O2.3CO.Fe/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7;3*1-2;/h8-11,19-21,24,26-28H,12-18H2,1-7H3;;;;/b9-8+;;;;/t20?,21-,24+,26-,27?,28-,29+,30-;;;;/m1..../s1 |
| InChIKey | KMGVACWSGSDVCI-DKAWZRJESA-N |
| Mol Weight | 578.6 g/mol |
| Molecular Formula | C33H46FeO5 |
| Exact Mass | 578.269461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6cXFALBwjEh |
|---|---|
| Name | KMGVACWSGSDVCI-DKAWZRJESA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H46FeO5 |
| InChI | InChI=1S/C30H46O2.3CO.Fe/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7;3*1-2;/h8-11,19-21,24,26-28H,12-18H2,1-7H3;;;;/b9-8+;;;;/t20?,21-,24+,26-,27?,28-,29+,30-;;;;/m1..../s1 |
| InChIKey | KMGVACWSGSDVCI-DKAWZRJESA-N |
| Literature Reference Author | R.E.PERRIER,M.J.MCGLINCHEY |
| Literature Reference Citation | CAN.J.CHEM.,66,3003(1988) |
| Literature Reference DOI | 10.1139/v88-466 |
| Molecular Weight | 578.572 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWCS7928 |