| SpectraBase Compound ID | 6R59ASxMHLL |
|---|---|
| InChI | InChI=1S/C21H23Br4N3O9S.Na/c1-35-18-13(24)7-21(19(30)16(18)25)8-14(28-37-21)20(31)26-3-2-4-36-17-11(22)5-10(6-12(17)23)15(29)9-27-38(32,33)34;/h5-7,15,19,27,29-30H,2-4,8-9H2,1H3,(H,26,31)(H,32,33,34);/q;+1/p-1/t15?,19-,21+;/m0./s1 |
| InChIKey | BPAZDHJVRSMTSY-NLIVQCERSA-M |
| Mol Weight | 835.08 g/mol |
| Molecular Formula | C21H22Br4N3NaO9S |
| Exact Mass | 830.770797 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jpz5OzNHLBX |
|---|---|
| Name | 19-HYDROXYARAPSYLLIN-I_N-(20)-SULFAMATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H22Br4N3NaO9S |
| InChI | InChI=1S/C21H23Br4N3O9S.Na/c1-35-18-13(24)7-21(19(30)16(18)25)8-14(28-37-21)20(31)26-3-2-4-36-17-11(22)5-10(6-12(17)23)15(29)9-27-38(32,33)34;/h5-7,15,19,27,29-30H,2-4,8-9H2,1H3,(H,26,31)(H,32,33,34);/q;+1/p-1/t15?,19-,21+;/m0./s1 |
| InChIKey | BPAZDHJVRSMTSY-NLIVQCERSA-M |
| Literature Reference Author | C.A.MOTTI,M.L.FRECKELTON,D.M.TAPIOLAS,R.H.WILLIS |
| Literature Reference Citation | J.NAT.PROD.,72,290(2009) |
| Literature Reference DOI | 10.1021/np800562m |
| Molecular Weight | 835.086 g/mol |
| Sample ID | 32212 |
| Solvent | DMSO-D6 |