| SpectraBase Compound ID | IqPyKGktfcD |
|---|---|
| InChI | InChI=1S/C40H66O12/c1-21(41)48-20-24-29(43)30(44)31(45)33(50-24)51-27-12-14-36(7)25(34(27,3)4)11-15-37(8)26(36)19-23(49-22(2)42)32-38(37,9)17-18-40(32,47)39(10)16-13-28(52-39)35(5,6)46/h23-33,43-47H,11-20H2,1-10H3/t23-,24-,25?,26?,27-,28-,29-,30+,31-,32?,33+,36+,37-,38-,39+,40-/m1/s1 |
| InChIKey | PGQCELLZPXFKMZ-UTOWDSDKSA-N |
| Mol Weight | 739.0 g/mol |
| Molecular Formula | C40H66O12 |
| Exact Mass | 738.455428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HY3S0LE2XR |
|---|---|
| Name | BETULAMAXIMOSIDE_B |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H66O12 |
| InChI | InChI=1S/C40H66O12/c1-21(41)48-20-24-29(43)30(44)31(45)33(50-24)51-27-12-14-36(7)25(34(27,3)4)11-15-37(8)26(36)19-23(49-22(2)42)32-38(37,9)17-18-40(32,47)39(10)16-13-28(52-39)35(5,6)46/h23-33,43-47H,11-20H2,1-10H3/t23-,24-,25?,26?,27-,28-,29-,30+,31-,32?,33+,36+,37-,38-,39+,40-/m1/s1 |
| InChIKey | PGQCELLZPXFKMZ-UTOWDSDKSA-N |
| Literature Reference Author | H.FUCHINO,T.SATOH,N.TANAKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,1748(1996) |
| Literature Reference DOI | 10.1248/cpb.44.1748 |
| Molecular Weight | 738.957 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19622 |