| SpectraBase Compound ID | I83QQX90MW1 |
|---|---|
| InChI | InChI=1S/C48H84O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-42(49)50-41-30-32-46(7)39(44(41,4)5)29-33-48(9)40(46)27-26-38-43-37(3)36(2)28-31-45(43,6)34-35-47(38,48)8/h26,36-37,39-41,43H,10-25,27-35H2,1-9H3/t36-,37+,39+,40-,41+,43+,45-,46+,47-,48-/m1/s1 |
| InChIKey | YZNKJAIYHYWQAA-VYGXFWHYSA-N |
| Mol Weight | 693.2 g/mol |
| Molecular Formula | C48H84O2 |
| Exact Mass | 692.647132 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DMvONYSxf47 |
|---|---|
| Name | 3-BETA-STEARYLOXY-URS-12-ENE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H84O2 |
| InChI | InChI=1S/C48H84O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-42(49)50-41-30-32-46(7)39(44(41,4)5)29-33-48(9)40(46)27-26-38-43-37(3)36(2)28-31-45(43,6)34-35-47(38,48)8/h26,36-37,39-41,43H,10-25,27-35H2,1-9H3/t36-,37+,39+,40-,41+,43+,45-,46+,47-,48-/m1/s1 |
| InChIKey | YZNKJAIYHYWQAA-VYGXFWHYSA-N |
| Literature Reference Author | R.R.S.MIRANDA,G.D.F.SILVA,L.P.DUARTE,I.C.P.FORTES,S.A.VIEIRA -FILHO |
| Literature Reference Citation | MAGN.RES.CHEM.,44,127(2006) |
| Literature Reference DOI | 10.1002/mrc.1734 |
| Molecular Weight | 693.194 g/mol |
| Sample ID | 43618 |
| Solvent | CDCl3 |