| SpectraBase Compound ID | 4TFXSjhhkbC |
|---|---|
| InChI | InChI=1S/C37H54O8/c1-21-13-16-37(32(41)42-10)18-17-35(8)26(30(37)22(21)2)11-12-29-33(6)19-27(44-24(4)39)31(45-25(5)40)34(7,20-43-23(3)38)28(33)14-15-36(29,35)9/h11,21,27-29,31H,12-20H2,1-10H3/t21-,27-,28?,29?,31+,33+,34+,35-,36-,37+/m1/s1 |
| InChIKey | ONYIUWMVQGBEFY-BFTHDMLSSA-N |
| Mol Weight | 626.8 g/mol |
| Molecular Formula | C37H54O8 |
| Exact Mass | 626.381869 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8UnnfU55GtQ |
|---|---|
| Name | 2-ALPHA,3-BETA,23-TRIACETOXYURSA-12,18-DIEN-28-O-METHYLESTER |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H54O8 |
| InChI | InChI=1S/C37H54O8/c1-21-13-16-37(32(41)42-10)18-17-35(8)26(30(37)22(21)2)11-12-29-33(6)19-27(44-24(4)39)31(45-25(5)40)34(7,20-43-23(3)38)28(33)14-15-36(29,35)9/h11,21,27-29,31H,12-20H2,1-10H3/t21-,27-,28?,29?,31+,33+,34+,35-,36-,37+/m1/s1 |
| InChIKey | ONYIUWMVQGBEFY-BFTHDMLSSA-N |
| Literature Reference Author | D.G.DURHAM,I.X.LIU,R.M.E.RICHARDS |
| Literature Reference Citation | PHYTOCHEM.,42,505(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00016-7 |
| Molecular Weight | 626.831 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3378 |