| SpectraBase Compound ID | BPV3Zf0gjBz |
|---|---|
| InChI | InChI=1S/C22H27NO6/c1-10(24)5-7-21-14-6-8-23(21)13-9-15(21)28-22(14)16(13)11(2)18(29-22)19-17(26-4)12(3)20(25)27-19/h5,7,10-11,13-16,24H,6,8-9H2,1-4H3/b7-5+,19-18-/t10-,11+,13+,14-,15-,16-,21+,22-/m1/s1 |
| InChIKey | JVTGLCOWKRWBGL-JCFVWYBISA-N |
| Mol Weight | 401.46 g/mol |
| Molecular Formula | C22H27NO6 |
| Exact Mass | 401.183838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4TkMB7Mh7Zq |
|---|---|
| Name | (3'-R)-STEMOFOLINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H27NO6 |
| InChI | InChI=1S/C22H27NO6/c1-10(24)5-7-21-14-6-8-23(21)13-9-15(21)28-22(14)16(13)11(2)18(29-22)19-17(26-4)12(3)20(25)27-19/h5,7,10-11,13-16,24H,6,8-9H2,1-4H3/b7-5+,19-18-/t10-,11+,13+,14-,15-,16-,21+,22-/m1/s1 |
| InChIKey | JVTGLCOWKRWBGL-JCFVWYBISA-N |
| Literature Reference Author | M.C.BAIRD,S.G.PYNE,A.T.UNG,W.LIE,T.SASTRARUJI,A.JATISATIENR, C.JATISATIENR,S.DHEE |
| Literature Reference Citation | J.NAT.PROD.,72,679(2009) |
| Literature Reference DOI | 10.1021/np800806b |
| Molecular Weight | 401.459 g/mol |
| Sample ID | 32422 |
| Solvent | CDCl3 |