| SpectraBase Compound ID | 8auNr39Q0cm |
|---|---|
| InChI | InChI=1S/C27H44O11S.Na/c1-3-14-4-6-16-15-5-7-18-23(19(30)9-11-27(18,13-29)17(15)8-10-26(14,16)2)37-25-22(32)24(38-39(33,34)35)21(31)20(12-28)36-25;/h3,14-25,28-32H,1,4-13H2,2H3,(H,33,34,35);/q;+1/p-1/t14-,15-,16-,17-,18-,19-,20+,21+,22+,23+,24-,25-,26+,27-;/m0./s1 |
| InChIKey | SOLJKLHQSLCNJD-KLYIGBEKSA-M |
| Mol Weight | 598.7 g/mol |
| Molecular Formula | C27H43NaO11S |
| Exact Mass | 598.242378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ElOHnOYaPNn |
|---|---|
| Name | PTILOSAPONOSIDE_B |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H43NaO11S |
| InChI | InChI=1S/C27H44O11S.Na/c1-3-14-4-6-16-15-5-7-18-23(19(30)9-11-27(18,13-29)17(15)8-10-26(14,16)2)37-25-22(32)24(38-39(33,34)35)21(31)20(12-28)36-25;/h3,14-25,28-32H,1,4-13H2,2H3,(H,33,34,35);/q;+1/p-1/t14-,15-,16-,17-,18-,19-,20+,21+,22+,23+,24-,25-,26+,27-;/m0./s1 |
| InChIKey | SOLJKLHQSLCNJD-KLYIGBEKSA-M |
| Literature Reference Author | M.GABANT,I.SCHMITZ-AFONSO,J.F.GALLARD,J.L.MENOU,D.LAURENT,C. DEBITUS,A.AL-MOURABI |
| Literature Reference Citation | J.NAT.PROD.,72,760(2009) |
| Literature Reference DOI | 10.1021/np800758c |
| Molecular Weight | 598.682 g/mol |
| Sample ID | 32490 |
| Solvent | CD3OD |