| SpectraBase Compound ID | AOOHXykaW6o |
|---|---|
| InChI | InChI=1S/C38H69NO12S/c1-4-5-6-9-14-19-32(41)20-15-10-7-11-16-21-34(51-31(3)40)22-17-12-8-13-18-23-38(46)50-30(2)28-35(43)36(44)29-33(42)24-25-37(45)39-26-27-52(47,48)49/h14,16,19,21,30,32-36,41-44H,4-13,15,17-18,20,22-29H2,1-3H3,(H,39,45)(H,47,48,49)/p-1/b19-14+,21-16+/t30?,32?,33-,34?,35+,36-/m1/s1 |
| InChIKey | YKCSKYFYYUFOQO-GMJLEXSOSA-M |
| Mol Weight | 763.0 g/mol |
| Molecular Formula | C38H68NO12S |
| Exact Mass | 762.446223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ySB8O7mpr6 |
|---|---|
| Name | CARTERIOSULFONIC_ACID_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H68NO12S |
| InChI | InChI=1S/C38H69NO12S/c1-4-5-6-9-14-19-32(41)20-15-10-7-11-16-21-34(51-31(3)40)22-17-12-8-13-18-23-38(46)50-30(2)28-35(43)36(44)29-33(42)24-25-37(45)39-26-27-52(47,48)49/h14,16,19,21,30,32-36,41-44H,4-13,15,17-18,20,22-29H2,1-3H3,(H,39,45)(H,47,48,49)/p-1/b19-14+,21-16+/t30?,32?,33-,34?,35+,36-/m1/s1 |
| InChIKey | YKCSKYFYYUFOQO-GMJLEXSOSA-M |
| Literature Reference Author | M.W.B.MCCULLOCH,T.S.BUGNI,G.P.CONCEPSION,G.S.COOMBS,M.K.HARP ER,S.KAUR,G.C.MANGAL |
| Literature Reference Citation | J.NAT.PROD.,72,1651(2009) |
| Literature Reference DOI | 10.1021/np900336f |
| Molecular Weight | 763.017 g/mol |
| Sample ID | 33543 |
| Solvent | DMSO-D6 |