| SpectraBase Compound ID | AqzwFx8clW9 |
|---|---|
| InChI | InChI=1S/C48H80O21/c1-24(13-15-33(53)46(4,5)69-45-42(62)39(59)36(56)32(23-52)68-45)12-14-29(65-44-41(61)38(58)35(55)31(22-51)67-44)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(60)37(57)34(54)30(21-50)66-43/h10,12,20,28-32,34-45,50-52,54-63H,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+/m1/s1 |
| InChIKey | MGWUDCIAPNZCGE-BPPPLLAWSA-N |
| Mol Weight | 993.1 g/mol |
| Molecular Formula | C48H80O21 |
| Exact Mass | 992.51921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HUNZ20ecBca |
|---|---|
| Name | 22-OXO-ISOIRIDAL-3,16,23-TRI-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6A |
| 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(53)46(4,5)69-45-42(62)39(59)36(56)32(23-52)68-45)12-14-29(65-44-41(61)38(58)35(55)31(22-51)67-44)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(60)37(57)34(54)30(21-50)66-43/h10,12,20,28-32,34-45,50-52,54-63H,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+/m1/s1 |
| InChIKey | MGWUDCIAPNZCGE-BPPPLLAWSA-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 | UWMS1616 |