| SpectraBase Compound ID | HPUpeTq6gQn |
|---|---|
| InChI | InChI=1S/C22H31NO6/c1-5-12(24)9-21-14-6-7-23(21)13-8-15(21)28-22(14)16(13)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h10,12-16,18-19,24H,5-9H2,1-4H3/t10-,12-,13-,14+,15-,16+,18-,19-,21-,22+/m0/s1 |
| InChIKey | LZIYZPJJVMGBPX-IWWHZBOVSA-N |
| Mol Weight | 405.49 g/mol |
| Molecular Formula | C22H31NO6 |
| Exact Mass | 405.215138 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vNUNDwp5iq |
|---|---|
| Name | (2'-S)-HYDROXY-(1-S,12-R)-DIHYDROSTEMOFOLINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31NO6 |
| InChI | InChI=1S/C22H31NO6/c1-5-12(24)9-21-14-6-7-23(21)13-8-15(21)28-22(14)16(13)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h10,12-16,18-19,24H,5-9H2,1-4H3/t10-,12-,13-,14+,15-,16+,18-,19-,21-,22+/m0/s1 |
| InChIKey | LZIYZPJJVMGBPX-IWWHZBOVSA-N |
| Literature Reference Author | T.SASTRARUJI,S.CHAIYONG,A.JATISATIENR,S.G.PYNE,A.T.UNG,W.LIE |
| Literature Reference Citation | J.NAT.PROD.,74,60(2011) |
| Literature Reference DOI | 10.1021/np100668s |
| Molecular Weight | 405.491 g/mol |
| Sample ID | 37676 |
| Solvent | Unknown |