| SpectraBase Compound ID | KpDcv7dT2GI |
|---|---|
| InChI | InChI=1S/C10H17N7O8S/c11-6-14-5-3(2-25-8(19)16-26(22,23)24)13-7(12)17-1-4(18)10(20,21)9(5,17)15-6/h3-5,18,20-21H,1-2H2,(H2,12,13)(H,16,19)(H3,11,14,15)(H,22,23,24)/p+1/t3-,4-,5-,9-/m0/s1 |
| InChIKey | OWPNZRSEHXXIHR-LJRZAWCWSA-O |
| Mol Weight | 396.36 g/mol |
| Molecular Formula | C10H18N7O8S |
| Exact Mass | 396.093757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GiaOkjThlWJ |
|---|---|
| Name | M_1;11-BETA-HYDROXY-N-21-SULFOCARBAMOYL-SAXITOXIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C10H18N7O8S |
| InChI | InChI=1S/C10H17N7O8S/c11-6-14-5-3(2-25-8(19)16-26(22,23)24)13-7(12)17-1-4(18)10(20,21)9(5,17)15-6/h3-5,18,20-21H,1-2H2,(H2,12,13)(H,16,19)(H3,11,14,15)(H,22,23,24)/p+1/t3-,4-,5-,9-/m0/s1 |
| InChIKey | OWPNZRSEHXXIHR-LJRZAWCWSA-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 | 396.355 g/mol |
| Sample ID | 29003 |
| Solvent | D2O:CD3COOD |