| SpectraBase Compound ID | KGBEYWPUAgd |
|---|---|
| InChI | InChI=1S/C36H67NO11S/c1-3-4-5-8-13-18-30(38)19-14-9-6-10-15-20-31(39)21-16-11-7-12-17-22-36(44)48-29(2)27-33(41)34(42)28-32(40)23-24-35(43)37-25-26-49(45,46)47/h13,15,18,20,29-34,38-42H,3-12,14,16-17,19,21-28H2,1-2H3,(H,37,43)(H,45,46,47)/p-1/b18-13+,20-15+/t29?,30?,31?,32-,33+,34-/m1/s1 |
| InChIKey | YTVGOGDBBBAIKT-YQYIEZKFSA-M |
| Mol Weight | 721.0 g/mol |
| Molecular Formula | C36H66NO11S |
| Exact Mass | 720.435658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G88JjVTgcr6 |
|---|---|
| Name | CARTERIOSULFONIC_ACID_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H66NO11S |
| InChI | InChI=1S/C36H67NO11S/c1-3-4-5-8-13-18-30(38)19-14-9-6-10-15-20-31(39)21-16-11-7-12-17-22-36(44)48-29(2)27-33(41)34(42)28-32(40)23-24-35(43)37-25-26-49(45,46)47/h13,15,18,20,29-34,38-42H,3-12,14,16-17,19,21-28H2,1-2H3,(H,37,43)(H,45,46,47)/p-1/b18-13+,20-15+/t29?,30?,31?,32-,33+,34-/m1/s1 |
| InChIKey | YTVGOGDBBBAIKT-YQYIEZKFSA-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 | 720.980 g/mol |
| Sample ID | 33542 |
| Solvent | DMSO-D6 |