| SpectraBase Compound ID | 4H0X8zUIbC2 |
|---|---|
| InChI | InChI=1S/C42H70O5/c1-29(13-17-33-31(3)15-19-35-39(33,5)23-11-25-41(35,7)37(43)45-9)21-27-47-28-22-30(2)14-18-34-32(4)16-20-36-40(34,6)24-12-26-42(36,8)38(44)46-10/h29-30,33-36H,3-4,11-28H2,1-2,5-10H3/t29-,30-,33+,34+,35-,36-,39-,40-,41+,42+/m1/s1 |
| InChIKey | LDHNAXIFUAFMSH-XBQICUAXSA-N |
| Mol Weight | 655.0 g/mol |
| Molecular Formula | C42H70O5 |
| Exact Mass | 654.522325 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HIW7PSvJzCk |
|---|---|
| Name | DIMER-A |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O5 |
| InChI | InChI=1S/C42H70O5/c1-29(13-17-33-31(3)15-19-35-39(33,5)23-11-25-41(35,7)37(43)45-9)21-27-47-28-22-30(2)14-18-34-32(4)16-20-36-40(34,6)24-12-26-42(36,8)38(44)46-10/h29-30,33-36H,3-4,11-28H2,1-2,5-10H3/t29-,30-,33+,34+,35-,36-,39-,40-,41+,42+/m1/s1 |
| InChIKey | LDHNAXIFUAFMSH-XBQICUAXSA-N |
| Literature Reference Author | M.W.PERTINO,C.THEODULOZ,M.BASTIAS,G.SCHMEDA-HIRSCHMANN |
| Literature Reference Citation | MOLECULES,18,5936(2013) |
| Literature Reference DOI | 10.3390/molecules18055936 |
| Molecular Weight | 655.015 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9375 |