| SpectraBase Compound ID | 58ZFnA4ldur |
|---|---|
| InChI | InChI=1S/C39H54O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(42)33(36(4,22-40)29(35)16-17-38(30,37)6)46-31(43)14-9-25-7-10-26(41)11-8-25/h7-12,14,23-24,28-30,32-33,40-42H,13,15-22H2,1-6H3,(H,44,45)/b14-9+/t23-,24+,28-,29-,30-,32+,33+,35+,36-,37-,38-,39+/m1/s1 |
| InChIKey | WKVZBLIEJQJTCN-VIMZWQMFSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C39H54O7 |
| Exact Mass | 634.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BvF2tNoE0V6 |
|---|---|
| Name | 3-BETA-(TRANS-PARA-COUMAROYLOXY)-2-ALPHA,24-DIHYDROXY-URS-12-EN-28-OIC-ACID |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O7 |
| InChI | InChI=1S/C39H54O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(42)33(36(4,22-40)29(35)16-17-38(30,37)6)46-31(43)14-9-25-7-10-26(41)11-8-25/h7-12,14,23-24,28-30,32-33,40-42H,13,15-22H2,1-6H3,(H,44,45)/b14-9+/t23-,24+,28-,29-,30-,32+,33+,35+,36-,37-,38-,39+/m1/s1 |
| InChIKey | WKVZBLIEJQJTCN-VIMZWQMFSA-N |
| Literature Reference Author | Y.SASHIDA,K.OGAWA,T.YAMANOUCHI,H.TANAKA,Y.SHOYAMA,I.NISHIOKA |
| Literature Reference Citation | PHYTOCHEM.,35,377(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94767-8 |
| Molecular Weight | 634.854 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU24528 |