| SpectraBase Compound ID | 9RCdBKthiqb |
|---|---|
| InChI | InChI=1S/C21H36O8/c1-12(2)15(22)8-11-21(5,14-6-9-20(4,29-26)10-7-14)28-19-18(25)17(24)16(23)13(3)27-19/h6,9,13-19,22-26H,1,7-8,10-11H2,2-5H3/t13-,14-,15?,16+,17+,18-,19+,20?,21+/m1/s1 |
| InChIKey | YXJQVTXJJRAVFR-QHALYNPASA-N |
| Mol Weight | 416.5 g/mol |
| Molecular Formula | C21H36O8 |
| Exact Mass | 416.241018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vKG4pP0mha |
|---|---|
| Name | 1-HYDROPEROXY-7,10-DIHYDROXYBISABOLA-2,10-DIENE_7-BETA-D-FUCOPYRANOSIDE |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36O8 |
| InChI | InChI=1S/C21H36O8/c1-12(2)15(22)8-11-21(5,14-6-9-20(4,29-26)10-7-14)28-19-18(25)17(24)16(23)13(3)27-19/h6,9,13-19,22-26H,1,7-8,10-11H2,2-5H3/t13-,14-,15?,16+,17+,18-,19+,20?,21+/m1/s1 |
| InChIKey | YXJQVTXJJRAVFR-QHALYNPASA-N |
| Literature Reference Author | O.TAGLIALATELA-SCAFATI,F.POLLASTRO,L.CICIONE,G.CHIANESE,M.L. BELLIDO,E.MUNOZ,H.C. |
| Literature Reference Citation | J.NAT.PROD.,75,453(2012) |
| Literature Reference DOI | 10.1021/np2008973 |
| Molecular Weight | 416.512 g/mol |
| Sample ID | 40172 |
| Solvent | CD3OD |