| SpectraBase Compound ID | 1OIOavxl8qh |
|---|---|
| InChI | InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5-6,8,19-20,22,29,32H,7,9-15H2,1-4H3/t19-,20+,22-,24-,25-,26-,27+,28-/m0/s1 |
| InChIKey | LOHQECMUTAPWAC-MXKUFHJFSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C28H36O6 |
| Exact Mass | 468.251189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJiDeWw6jT8 |
|---|---|
| Name | COAGULIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O6 |
| InChI | InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5-6,8,19-20,22,29,32H,7,9-15H2,1-4H3/t19-,20+,22-,24-,25-,26-,27+,28-/m0/s1 |
| InChIKey | LOHQECMUTAPWAC-MXKUFHJFSA-N |
| Literature Reference Author | A.U.RAHMAN,S.ABBAS,D.E-SHAHWAR,S.A.JAMAL,M.I.CHOUDHARY |
| Literature Reference Citation | J.NAT.PROD.,56,1000(1993) |
| Literature Reference DOI | 10.1021/np50097a003 |
| Molecular Weight | 468.590 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWTS135 |