| SpectraBase Compound ID | EPYkxFcCu3d |
|---|---|
| InChI | InChI=1S/C10H17N7O9S/c11-5-14-4-3(1-26-7(18)16-27(23,24)25)13-6(12)17-2-8(19,20)10(21,22)9(4,17)15-5/h3-4,19-22H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,23,24,25)/p+1/t3-,4-,9-/m0/s1 |
| InChIKey | GEQVLVSQKTUBFK-GWWBTZNMSA-O |
| Mol Weight | 412.35 g/mol |
| Molecular Formula | C10H18N7O9S |
| Exact Mass | 412.088671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 55nh0zS8BAW |
|---|---|
| Name | M_3;11,11-DIHYDROXY-N-21-SULFOCARBAMOYL-SAXITOXIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C10H18N7O9S |
| InChI | InChI=1S/C10H17N7O9S/c11-5-14-4-3(1-26-7(18)16-27(23,24)25)13-6(12)17-2-8(19,20)10(21,22)9(4,17)15-5/h3-4,19-22H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,23,24,25)/p+1/t3-,4-,9-/m0/s1 |
| InChIKey | GEQVLVSQKTUBFK-GWWBTZNMSA-O |
| Literature Reference Author | C.DELL'AVERSANO,J.A.WALTER,I.W.BURTON,D.J.STIRLING,E.FATTORU SSO,M.A.QUILLIAM |
| Literature Reference Citation | J.NAT.PROD.,71,1518(2008) |
| Literature Reference DOI | 10.1021/np800066r |
| Molecular Weight | 412.354 g/mol |
| Sample ID | 29005 |
| Solvent | 60%_BENZENE-D6/CDCl3 |