| SpectraBase Compound ID | 1i01ubTSSYm |
|---|---|
| InChI | InChI=1S/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)56-34-32(28(46)23(45)19-54-34)57-33-31(49)30(48)29(47)24(18-43)55-33/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)/t22?,23-,24-,25?,26?,27?,28+,29-,30+,31-,32-,33+,34+,37+,38+,39+,40-,41-,42+/m1/s1 |
| InChIKey | CTWMGJMDAUJZDO-SGVLWZGDSA-N |
| Mol Weight | 811.0 g/mol |
| Molecular Formula | C42H66O15 |
| Exact Mass | 810.440171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GXRlYhV5dsJ |
|---|---|
| Name | PHYTOLACCOSIDE-D-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O15 |
| InChI | InChI=1S/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)56-34-32(28(46)23(45)19-54-34)57-33-31(49)30(48)29(47)24(18-43)55-33/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)/t22?,23-,24-,25?,26?,27?,28+,29-,30+,31-,32-,33+,34+,37+,38+,39+,40-,41-,42+/m1/s1 |
| InChIKey | CTWMGJMDAUJZDO-SGVLWZGDSA-N |
| Literature Reference Author | S.S.KANG,W.S.WOO |
| Literature Reference Citation | PLANTA.MED.,53,338(1987) |
| Literature Reference DOI | 10.1055/s-2006-962732 |
| Molecular Weight | 810.977 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK262 |