| SpectraBase Compound ID | 1aTMaeOQ230 |
|---|---|
| InChI | InChI=1S/C28H40O5/c1-5-6-16-24-17-8-7-9-18-25(29)28(32)27(31)23(4)15-11-14-21(2)12-10-13-22(3)19-20-26(30)33-24/h6-13,15-16,18-21,23-25,27-29,31-32H,5,14,17H2,1-4H3/b8-7+,12-10+,15-11+,16-6+,18-9-,20-19+,22-13+/t21-,23-,24-,25-,27-,28+/m0/s1 |
| InChIKey | OYPWVSHNWVXFOC-NUOKWNRSSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C28H40O5 |
| Exact Mass | 456.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fyygBqfdbz |
|---|---|
| Name | CHAXALACTIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O5 |
| InChI | InChI=1S/C28H40O5/c1-5-6-16-24-17-8-7-9-18-25(29)28(32)27(31)23(4)15-11-14-21(2)12-10-13-22(3)19-20-26(30)33-24/h6-13,15-16,18-21,23-25,27-29,31-32H,5,14,17H2,1-4H3/b8-7+,12-10+,15-11+,16-6+,18-9-,20-19+,22-13+/t21-,23-,24-,25-,27-,28+/m0/s1 |
| InChIKey | OYPWVSHNWVXFOC-NUOKWNRSSA-N |
| Literature Reference Author | M.E.RATEB,W.E.HOUSSEN,W.T.A.HARRISON,H.DENG,C.K.OKORO,J.A.AS ENJO,B.A.ANDREWS,A.T |
| Literature Reference Citation | J.NAT.PROD.,74,1965(2011) |
| Literature Reference DOI | 10.1021/np200470u |
| Molecular Weight | 456.623 g/mol |
| Sample ID | 39250 |
| Solvent | CDCl3 |