![22-OXO-23-HYDROXY-IRIDAL-3-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE]-16-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/COsvBnnh2VV/structure.png?h=300&w=458 "22-OXO-23-HYDROXY-IRIDAL-3-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE]-16-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 9i5PTtUp5Wn |
|---|---|
| InChI | InChI=1S/C48H80O21/c1-24(13-15-33(52)46(4,5)62)12-14-29(66-45-42(61)38(57)35(54)31(22-51)68-45)25(2)10-8-17-47(6)28(27(26(3)20-49)16-18-48(47,7)63)11-9-19-64-43-40(59)39(58)36(55)32(69-43)23-65-44-41(60)37(56)34(53)30(21-50)67-44/h10,12,20,28-32,34-45,50-51,53-63H,8-9,11,13-19,21-23H2,1-7H3/b24-12+,25-10+,27-26-/t28?,29?,30-,31-,32-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,44-,45-,47-,48-/m0/s1 |
| InChIKey | OYGLQWCXIATPGC-RVUOLBDJSA-N |
| Mol Weight | 993.1 g/mol |
| Molecular Formula | C48H80O21 |
| Exact Mass | 992.51921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | COsvBnnh2VV |
|---|---|
| Name | 22-OXO-23-HYDROXY-IRIDAL-3-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE]-16-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O21 |
| InChI | InChI=1S/C48H80O21/c1-24(13-15-33(52)46(4,5)62)12-14-29(66-45-42(61)38(57)35(54)31(22-51)68-45)25(2)10-8-17-47(6)28(27(26(3)20-49)16-18-48(47,7)63)11-9-19-64-43-40(59)39(58)36(55)32(69-43)23-65-44-41(60)37(56)34(53)30(21-50)67-44/h10,12,20,28-32,34-45,50-51,53-63H,8-9,11,13-19,21-23H2,1-7H3/b24-12+,25-10+,27-26-/t28?,29?,30-,31-,32-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,44-,45-,47-,48-/m0/s1 |
| InChIKey | OYGLQWCXIATPGC-RVUOLBDJSA-N |
| Literature Reference Author | F.J.MARNER,A.N.B.SINGAB,M.M.AL-AZIZI,N.A.EL-EMARY,M.SCHAEFER |
| Literature Reference Citation | PHYTOCHEM.,60,301(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00110-3 |
| Molecular Weight | 993.151 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1614 |