| SpectraBase Compound ID | Hjv5QYPjq3 |
|---|---|
| InChI | InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(47)49-38-27-28-43(7)36(41(38,4)5)26-29-45(9)37(43)25-24-35-40-42(6,30-32-44(35,45)8)31-33-46(40,48)34(2)3/h35-38,40,48H,2,10-33H2,1,3-9H3/t35-,36+,37-,38+,40-,42+,43+,44-,45-,46-/m1/s1 |
| InChIKey | JCOXAUXBYDVWNC-PCVIHZJASA-N |
| Mol Weight | 681.1 g/mol |
| Molecular Formula | C46H80O3 |
| Exact Mass | 680.610746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmI9kM72lo9 |
|---|---|
| Name | JCOXAUXBYDVWNC-PCVIHZJASA-N |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H80O3 |
| InChI | InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(47)49-38-27-28-43(7)36(41(38,4)5)26-29-45(9)37(43)25-24-35-40-42(6,30-32-44(35,45)8)31-33-46(40,48)34(2)3/h35-38,40,48H,2,10-33H2,1,3-9H3/t35-,36+,37-,38+,40-,42+,43+,44-,45-,46-/m1/s1 |
| InChIKey | JCOXAUXBYDVWNC-PCVIHZJASA-N |
| Literature Reference Author | P.S.PEREIRA,S.D.C.FRANCA,P.V.A.D.OLIVEIRA,C.M.D.S.BREVES,S.I .V.PEREIRA |
| Literature Reference Citation | QUIM.NOVA,31,20(2008) |
| Literature Reference DOI | 10.1590/s0100-40422008000100004 |
| Molecular Weight | 681.139 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT12096 |