| SpectraBase Compound ID | HNOKiMcwZcb |
|---|---|
| InChI | InChI=1S/C27H37NO6.Na/c1-18(10-6-12-20(3)14-23-26(32)21(4)27(33)34-23)8-5-9-19(2)11-7-13-22-15-24(29)28(16-22)17-25(30)31;/h5,8-9,12,15,18,23,32H,6-7,10-11,13-14,16-17H2,1-4H3,(H,30,31);/q;+1/p-1/b8-5+,19-9+,20-12-;/t18-,23-;/m1./s1 |
| InChIKey | RQTYYCGHNHOGFV-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 | KdYIa6sjwKp |
|---|---|
| Name | ISO-SARCOTRINE-E |
| Compound Number | 8 |
| 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)14-23-26(32)21(4)27(33)34-23)8-5-9-19(2)11-7-13-22-15-24(29)28(16-22)17-25(30)31;/h5,8-9,12,15,18,23,32H,6-7,10-11,13-14,16-17H2,1-4H3,(H,30,31);/q;+1/p-1/b8-5+,19-9+,20-12-;/t18-,23-;/m1./s1 |
| InChIKey | RQTYYCGHNHOGFV-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 | UWKP3084 |