| SpectraBase Compound ID | 2zLuLpQHKMg |
|---|---|
| InChI | InChI=1S/C44H70O15/c1-22-38(47)31(50-8)19-36(53-22)58-40-24(3)55-37(21-33(40)52-10)59-39-23(2)54-35(20-32(39)51-9)57-28-13-14-41(6)27(17-28)11-12-29-30(41)18-34(56-26(5)46)42(7)43(48,25(4)45)15-16-44(29,42)49/h11,22-24,28-40,47-49H,12-21H2,1-10H3/t22-,23-,24+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41+,42-,43-,44+/m1/s1 |
| InChIKey | RRBNZAUYLICEFU-JPEQMMMWSA-N |
| Mol Weight | 839.0 g/mol |
| Molecular Formula | C44H70O15 |
| Exact Mass | 838.471472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HsDpDHLPpZJ |
|---|---|
| Name | 12-O-ACETYL-PERGULARIN-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O15 |
| InChI | InChI=1S/C44H70O15/c1-22-38(47)31(50-8)19-36(53-22)58-40-24(3)55-37(21-33(40)52-10)59-39-23(2)54-35(20-32(39)51-9)57-28-13-14-41(6)27(17-28)11-12-29-30(41)18-34(56-26(5)46)42(7)43(48,25(4)45)15-16-44(29,42)49/h11,22-24,28-40,47-49H,12-21H2,1-10H3/t22-,23-,24+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41+,42-,43-,44+/m1/s1 |
| InChIKey | RRBNZAUYLICEFU-JPEQMMMWSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1752(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1752 |
| Molecular Weight | 839.031 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20826 |