| SpectraBase Compound ID | EpkgbLka2j7 |
|---|---|
| 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-PEJCINNESA-N |
| Mol Weight | 693.2 g/mol |
| Molecular Formula | C48H84O2 |
| Exact Mass | 692.647132 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BxznRfmdZyt |
|---|---|
| Name | a-amyryl octadecanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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-PEJCINNESA-N |
| Molecular Weight | 693.198 g/mol |
| SMILES | C1=2[C@]([C@@]3(CCC4[C@@](C3CC2)(CC[C@](OC(=O)CCCCCCCCCCCCCCCCC)(C4(C)C)[H])C)C)(CC[C@@]2(C1[C@]([C@@](CC2)(C)[H])(C)[H])C)C |
| SPLASH | splash10-014i-0190000000-12e26de6a0885e5eb8b8 |
| Source of Spectrum | O-32-1356-0 |
| Synonyms | (3beta)-urs-12-en-3-yl stearate .alpha.-Amyryl octadecanoate |
| Wiley ID | 1414807 |