| SpectraBase Compound ID | GMmPOeZk8cS |
|---|---|
| InChI | InChI=1S/C48H82O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-42(50)51-41-34-40(49)48(9)38(44(41,4)5)29-31-47(8)39(48)27-26-37-43-36(3)35(2)28-30-45(43,6)32-33-46(37,47)7/h26-27,35-36,38,40-41,43,49H,10-25,28-34H2,1-9H3/t35-,36+,38+,40-,41+,43+,45-,46-,47-,48+/m1/s1 |
| InChIKey | APLACDBFAVKPCW-CCXVAZKESA-N |
| Mol Weight | 707.2 g/mol |
| Molecular Formula | C48H82O3 |
| Exact Mass | 706.626396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IH2H7lf3uUy |
|---|---|
| Name | 1-BETA,3-BETA-DIHYDROXY-URS-9(11),12-DIENE-3-OCTADECANOATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H82O3 |
| InChI | InChI=1S/C48H82O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-42(50)51-41-34-40(49)48(9)38(44(41,4)5)29-31-47(8)39(48)27-26-37-43-36(3)35(2)28-30-45(43,6)32-33-46(37,47)7/h26-27,35-36,38,40-41,43,49H,10-25,28-34H2,1-9H3/t35-,36+,38+,40-,41+,43+,45-,46-,47-,48+/m1/s1 |
| InChIKey | APLACDBFAVKPCW-CCXVAZKESA-N |
| Literature Reference Author | Z.D.YANG,K.GAO,Z.J.JIA |
| Literature Reference Citation | PHYTOCHEM.,62,1195(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00758-6 |
| Molecular Weight | 707.177 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29616 |