![BOIVINIDE_D;COROTOXIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-BOIVINOPYRANOSIDE]](/api/spectrum/18DeulTt3xa/structure.png?h=300&w=458 "BOIVINIDE_D;COROTOXIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-BOIVINOPYRANOSIDE]")
| SpectraBase Compound ID | 4SN2BEYO0N |
|---|---|
| InChI | InChI=1S/C35H52O13/c1-17-31(48-32-30(42)29(41)28(40)25(14-36)47-32)24(38)13-27(45-17)46-20-5-9-34(16-37)19(12-20)3-4-23-22(34)6-8-33(2)21(7-10-35(23,33)43)18-11-26(39)44-15-18/h11,16-17,19-25,27-32,36,38,40-43H,3-10,12-15H2,1-2H3/t17-,19+,20+,21-,22?,23?,24+,25+,27-,28+,29-,30+,31-,32-,33-,34-,35+/m1/s1 |
| InChIKey | DNLXAKKKWMFLON-QAMOOYNMSA-N |
| Mol Weight | 680.8 g/mol |
| Molecular Formula | C35H52O13 |
| Exact Mass | 680.340792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18DeulTt3xa |
|---|---|
| Name | BOIVINIDE_D;COROTOXIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-BOIVINOPYRANOSIDE] |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O13 |
| InChI | InChI=1S/C35H52O13/c1-17-31(48-32-30(42)29(41)28(40)25(14-36)47-32)24(38)13-27(45-17)46-20-5-9-34(16-37)19(12-20)3-4-23-22(34)6-8-33(2)21(7-10-35(23,33)43)18-11-26(39)44-15-18/h11,16-17,19-25,27-32,36,38,40-43H,3-10,12-15H2,1-2H3/t17-,19+,20+,21-,22?,23?,24+,25+,27-,28+,29-,30+,31-,32-,33-,34-,35+/m1/s1 |
| InChIKey | DNLXAKKKWMFLON-QAMOOYNMSA-N |
| Literature Reference Author | S.KARKARE,E.ADOU,S.CAO,P.BRODIE,J.S.MILLER,N.M.ANDRIANJAFY,J .RAZAFITSALAMA,R.AND |
| Literature Reference Citation | J.NAT.PROD.,70,1766(2007) |
| Literature Reference DOI | 10.1021/np070336n |
| Molecular Weight | 680.790 g/mol |
| Sample ID | 31054 |
| Solvent | CD3OD |