![BOIVINIDE_B;COROTOXIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-SARMENTOPYRANOSIDE]](/api/spectrum/8e6nYt6rg1M/structure.png?h=300&w=458 "BOIVINIDE_B;COROTOXIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-SARMENTOPYRANOSIDE]")
| SpectraBase Compound ID | 6ZWx8BZ3j0r |
|---|---|
| InChI | InChI=1S/C36H54O13/c1-18-32(49-33-31(42)30(41)29(40)26(15-37)48-33)25(44-3)14-28(46-18)47-21-6-10-35(17-38)20(13-21)4-5-24-23(35)7-9-34(2)22(8-11-36(24,34)43)19-12-27(39)45-16-19/h12,17-18,20-26,28-33,37,40-43H,4-11,13-16H2,1-3H3/t18-,20+,21+,22-,23?,24?,25+,26+,28+,29+,30-,31+,32+,33-,34-,35-,36+/m1/s1 |
| InChIKey | CSVNMGCNZRUZHN-WHSAAHMJSA-N |
| Mol Weight | 694.8 g/mol |
| Molecular Formula | C36H54O13 |
| Exact Mass | 694.356442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8e6nYt6rg1M |
|---|---|
| Name | BOIVINIDE_B;COROTOXIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-SARMENTOPYRANOSIDE] |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O13 |
| InChI | InChI=1S/C36H54O13/c1-18-32(49-33-31(42)30(41)29(40)26(15-37)48-33)25(44-3)14-28(46-18)47-21-6-10-35(17-38)20(13-21)4-5-24-23(35)7-9-34(2)22(8-11-36(24,34)43)19-12-27(39)45-16-19/h12,17-18,20-26,28-33,37,40-43H,4-11,13-16H2,1-3H3/t18-,20+,21+,22-,23?,24?,25+,26+,28+,29+,30-,31+,32+,33-,34-,35-,36+/m1/s1 |
| InChIKey | CSVNMGCNZRUZHN-WHSAAHMJSA-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 | 694.817 g/mol |
| Sample ID | 31051 |
| Solvent | C5D5N |