| SpectraBase Compound ID | 9i6OOHwVNb4 |
|---|---|
| InChI | InChI=1S/C27H46O6/c1-8-18(4)16-22(28)32-25-23(29)20(6)31-26(24(25)30)33-27(7,15-9-10-17(2)3)21-13-11-19(5)12-14-21/h10-11,18,20-21,23-26,29-30H,8-9,12-16H2,1-7H3/t18?,20-,21+,23+,24-,25+,26+,27+/m1/s1 |
| InChIKey | BRNUQCIHYARTPP-ZBXCZBSXSA-N |
| Mol Weight | 466.7 g/mol |
| Molecular Formula | C27H46O6 |
| Exact Mass | 466.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LBOtZexuIw |
|---|---|
| Name | O-3'-(BETA-METHYL)-VALEROYL-ALPHA-BISABOLOL_BETA-D-FUCOPYRANOSIDE |
| Compound Number | 2E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H46O6 |
| InChI | InChI=1S/C27H46O6/c1-8-18(4)16-22(28)32-25-23(29)20(6)31-26(24(25)30)33-27(7,15-9-10-17(2)3)21-13-11-19(5)12-14-21/h10-11,18,20-21,23-26,29-30H,8-9,12-16H2,1-7H3/t18?,20-,21+,23+,24-,25+,26+,27+/m1/s1 |
| InChIKey | BRNUQCIHYARTPP-ZBXCZBSXSA-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 | 466.659 g/mol |
| Sample ID | 40169 |
| Solvent | CDCl3 |