| SpectraBase Compound ID | BoMgvk1Kpht |
|---|---|
| InChI | InChI=1S/C28H38O7/c1-14-10-23(35-25(33)15(14)2)27(4,34)24-20(30)11-19-17-9-8-16-6-5-7-21(31)26(16,3)18(17)12-22(32)28(19,24)13-29/h5-6,8,14-15,17-20,23-24,29-30,34H,7,9-13H2,1-4H3/t14-,15+,17-,18+,19+,20+,23?,24-,26+,27+,28-/m1/s1 |
| InChIKey | DNJBXUBLTLZUIJ-PFERCGAKSA-N |
| Mol Weight | 486.6 g/mol |
| Molecular Formula | C28H38O7 |
| Exact Mass | 486.261754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQw25Z6ymFb |
|---|---|
| Name | 13-BETA-HYDROXYMETHYLSUBTRIFLORALACTONE-E |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O7 |
| InChI | InChI=1S/C28H38O7/c1-14-10-23(35-25(33)15(14)2)27(4,34)24-20(30)11-19-17-9-8-16-6-5-7-21(31)26(16,3)18(17)12-22(32)28(19,24)13-29/h5-6,8,14-15,17-20,23-24,29-30,34H,7,9-13H2,1-4H3/t14-,15+,17-,18+,19+,20+,23?,24-,26+,27+,28-/m1/s1 |
| InChIKey | DNJBXUBLTLZUIJ-PFERCGAKSA-N |
| Literature Reference Author | B.N.SU,E.J.PARK,D.NIKOLIC,J.S.VIGO,J.G.GRAHAM,F.CABIESES,R.B .V.BREEMEN,H.H.S.FON |
| Literature Reference Citation | J.NAT.PROD.,66,1089(2003) |
| Literature Reference DOI | 10.1021/np030081n |
| Molecular Weight | 486.606 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP172 |