| SpectraBase Compound ID | EDPseYcNM3t |
|---|---|
| InChI | InChI=1S/C46H58O25/c1-4-22-23(24(42(61)62-3)17-65-43(22)71-46-38(59)36(57)34(55)29(16-47)67-46)15-32(53)64-18-30-40(69-31(52)10-7-20-5-8-25(48)27(50)13-20)41(70-45-37(58)35(56)33(54)19(2)66-45)39(60)44(68-30)63-12-11-21-6-9-26(49)28(51)14-21/h4-10,13-14,17,19,23,29-30,33-41,43-51,54-60H,11-12,15-16,18H2,1-3H3/b10-7+,22-4+/t19-,23?,29-,30-,33-,34-,35+,36+,37+,38-,39-,40-,41-,43-,44-,45-,46+/m0/s1 |
| InChIKey | NJIBYWMHTBDPCP-DLFGIVDYSA-N |
| Mol Weight | 1010.9 g/mol |
| Molecular Formula | C46H58O25 |
| Exact Mass | 1010.326717 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JSAwHiTiEr |
|---|---|
| Name | ISOOLEOACTEOSIDE |
| Compound Number | 87 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H58O25 |
| InChI | InChI=1S/C46H58O25/c1-4-22-23(24(42(61)62-3)17-65-43(22)71-46-38(59)36(57)34(55)29(16-47)67-46)15-32(53)64-18-30-40(69-31(52)10-7-20-5-8-25(48)27(50)13-20)41(70-45-37(58)35(56)33(54)19(2)66-45)39(60)44(68-30)63-12-11-21-6-9-26(49)28(51)14-21/h4-10,13-14,17,19,23,29-30,33-41,43-51,54-60H,11-12,15-16,18H2,1-3H3/b10-7+,22-4+/t19-,23?,29-,30-,33-,34-,35+,36+,37+,38-,39-,40-,41-,43-,44-,45-,46+/m0/s1 |
| InChIKey | NJIBYWMHTBDPCP-DLFGIVDYSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,689(2007) |
| Literature Reference DOI | 10.1248/cpb.55.689 |
| Molecular Weight | 1010.952 g/mol |
| Sample ID | 37499 |
| Solvent | CD3OD |