| SpectraBase Compound ID | CyEXCsgE2HR |
|---|---|
| InChI | InChI=1S/C21H34O7S.Na/c1-4-11-9-15(22)17-12-5-6-14-18(23)19(24)16(28-29(25,26)27)10-21(14,3)13(12)7-8-20(11,17)2;/h4,11-19,22-24H,1,5-10H2,2-3H3,(H,25,26,27);/q;+1/p-1/t11-,12+,13-,14-,15+,16-,17+,18+,19-,20+,21+;/m0./s1 |
| InChIKey | VSJXMUWQFKZXGJ-UNDZSNSISA-M |
| Mol Weight | 452.5 g/mol |
| Molecular Formula | C21H33NaO7S |
| Exact Mass | 452.184469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DHIgn54oPLA |
|---|---|
| Name | PTILOSTEROID_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H33NaO7S |
| InChI | InChI=1S/C21H34O7S.Na/c1-4-11-9-15(22)17-12-5-6-14-18(23)19(24)16(28-29(25,26)27)10-21(14,3)13(12)7-8-20(11,17)2;/h4,11-19,22-24H,1,5-10H2,2-3H3,(H,25,26,27);/q;+1/p-1/t11-,12+,13-,14-,15+,16-,17+,18+,19-,20+,21+;/m0./s1 |
| InChIKey | VSJXMUWQFKZXGJ-UNDZSNSISA-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 | 452.539 g/mol |
| Sample ID | 32488 |
| Solvent | CD3OD |