| SpectraBase Compound ID | BHeAhOIE3cM |
|---|---|
| InChI | InChI=1S/C27H37NO6.Na/c1-18(10-6-12-20(3)16-23-25(31)21(4)27(33)34-23)8-5-9-19(2)11-7-13-22-14-15-28(26(22)32)17-24(29)30;/h5,8-9,12,14,18,23,31H,6-7,10-11,13,15-17H2,1-4H3,(H,29,30);/q;+1/p-1/b8-5+,19-9+,20-12-;/t18-,23-;/m1./s1 |
| InChIKey | HPSAWHHKSTXKBS-UWGYEKCBSA-M |
| Mol Weight | 493.6 g/mol |
| Molecular Formula | C27H36NNaO6 |
| Exact Mass | 493.244032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8z9GWaDQIj4 |
|---|---|
| Name | SARCOTRINE-E |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36NNaO6 |
| InChI | InChI=1S/C27H37NO6.Na/c1-18(10-6-12-20(3)16-23-25(31)21(4)27(33)34-23)8-5-9-19(2)11-7-13-22-14-15-28(26(22)32)17-24(29)30;/h5,8-9,12,14,18,23,31H,6-7,10-11,13,15-17H2,1-4H3,(H,29,30);/q;+1/p-1/b8-5+,19-9+,20-12-;/t18-,23-;/m1./s1 |
| InChIKey | HPSAWHHKSTXKBS-UWGYEKCBSA-M |
| Literature Reference Author | Y.LIU,T.A.MANSOOR,J.HONG,C.O.LEE,C.J.SIM,K.S.IM,N.D.KIM,J.H. JUNG |
| Literature Reference Citation | J.NAT.PROD.,66,1451(2003) |
| Literature Reference DOI | 10.1021/np030268e |
| Molecular Weight | 493.576 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP3083 |