![ISOHUMBERTIOL-3-O-(ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-(4-TRANS-FERULOYL)-RHAMNOPYRANOSYL-(1->6)])-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/7V9ojm2fflt/structure.png?h=300&w=458 "ISOHUMBERTIOL-3-O-(ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-(4-TRANS-FERULOYL)-RHAMNOPYRANOSYL-(1->6)])-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | FA6FwwoDcKm |
|---|---|
| InChI | InChI=1S/C49H72O21/c1-10-49(8,19-27-17-22(4)11-14-28(27)21(2)3)70-48-44(69-47-41(60)38(57)43(25(7)65-47)68-46-39(58)35(54)33(52)23(5)63-46)36(55)34(53)31(66-48)20-62-45-40(59)37(56)42(24(6)64-45)67-32(51)16-13-26-12-15-29(50)30(18-26)61-9/h10,12-13,15-18,23-25,27,31,33-48,50,52-60H,1,11,14,19-20H2,2-9H3/b16-13+/t23-,24-,25+,27?,31-,33-,34-,35+,36+,37-,38?,39-,40-,41+,42-,43+,44-,45-,46+,47-,48+,49?/m1/s1 |
| InChIKey | GKCHEZAXETVJOT-JZFVQMHYSA-N |
| Mol Weight | 997.1 g/mol |
| Molecular Formula | C49H72O21 |
| Exact Mass | 996.456609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7V9ojm2fflt |
|---|---|
| Name | ISOHUMBERTIOL-3-O-(ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-(4-TRANS-FERULOYL)-RHAMNOPYRANOSYL-(1->6)])-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H72O21 |
| InChI | InChI=1S/C49H72O21/c1-10-49(8,19-27-17-22(4)11-14-28(27)21(2)3)70-48-44(69-47-41(60)38(57)43(25(7)65-47)68-46-39(58)35(54)33(52)23(5)63-46)36(55)34(53)31(66-48)20-62-45-40(59)37(56)42(24(6)64-45)67-32(51)16-13-26-12-15-29(50)30(18-26)61-9/h10,12-13,15-18,23-25,27,31,33-48,50,52-60H,1,11,14,19-20H2,2-9H3/b16-13+/t23-,24-,25+,27?,31-,33-,34-,35+,36+,37-,38?,39-,40-,41+,42-,43+,44-,45-,46+,47-,48+,49?/m1/s1 |
| InChIKey | GKCHEZAXETVJOT-JZFVQMHYSA-N |
| Literature Reference Author | N.DETOMMASI,R.AQUINO,F.DESIMONE,C.PIZZA |
| Literature Reference Citation | J.NAT.PROD.,55,1025(1992) |
| Literature Reference DOI | 10.1021/np50086a001 |
| Molecular Weight | 997.098 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS5317 |