| SpectraBase Compound ID | 3RAR76lW0TO |
|---|---|
| InChI | InChI=1S/C21H34O7S.Na/c1-4-12-16(22)9-15-11-5-6-14-18(23)19(24)17(28-29(25,26)27)10-21(14,3)13(11)7-8-20(12,15)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-;/m1./s1 |
| InChIKey | NRSCRCBQDPZRDP-QQCSVRBVSA-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 | CsLaqne03xU |
|---|---|
| Name | PTILOSTEROID_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H33NaO7S |
| InChI | InChI=1S/C21H34O7S.Na/c1-4-12-16(22)9-15-11-5-6-14-18(23)19(24)17(28-29(25,26)27)10-21(14,3)13(11)7-8-20(12,15)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-;/m1./s1 |
| InChIKey | NRSCRCBQDPZRDP-QQCSVRBVSA-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 | 32487 |
| Solvent | CD3OD |