| SpectraBase Compound ID | 5HRy2MNfAnF |
|---|---|
| InChI | InChI=1S/C21H34O8S.Na/c1-4-11-16(22)19(25)15-10-5-6-13-17(23)18(24)14(29-30(26,27)28)9-21(13,3)12(10)7-8-20(11,15)2;/h4,10-19,22-25H,1,5-9H2,2-3H3,(H,26,27,28);/q;+1/p-1/t10-,11+,12+,13+,14+,15-,16-,17-,18+,19+,20-,21-;/m1./s1 |
| InChIKey | DDTBYORGJROSNL-FWBRTKQVSA-M |
| Mol Weight | 468.5 g/mol |
| Molecular Formula | C21H33NaO8S |
| Exact Mass | 468.179383 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CihQy0DCLCe |
|---|---|
| Name | PTILOSTEROID_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H33NaO8S |
| InChI | InChI=1S/C21H34O8S.Na/c1-4-11-16(22)19(25)15-10-5-6-13-17(23)18(24)14(29-30(26,27)28)9-21(13,3)12(10)7-8-20(11,15)2;/h4,10-19,22-25H,1,5-9H2,2-3H3,(H,26,27,28);/q;+1/p-1/t10-,11+,12+,13+,14+,15-,16-,17-,18+,19+,20-,21-;/m1./s1 |
| InChIKey | DDTBYORGJROSNL-FWBRTKQVSA-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 | 468.538 g/mol |
| Sample ID | 32486 |
| Solvent | CD3OD |