| SpectraBase Compound ID | Bl8eBc2Zy6Q |
|---|---|
| InChI | InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36?,37?,38?,39-,43+,44-,45+,46+/m0/s1 |
| InChIKey | VFSRKCNYYCXRGI-QWZIDGQXSA-N |
| Mol Weight | 665.1 g/mol |
| Molecular Formula | C46H80O2 |
| Exact Mass | 664.615832 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AHZPChHqWoE |
|---|---|
| Name | b-amyryl hexadecanoate |
| Alternate Name(s) | (3beta)-olean-12-en-3-yl palmitate .beta.-Amyryl hexadecanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H80O2 |
| InChI | InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36?,37?,38?,39-,43+,44-,45+,46+/m0/s1 |
| InChIKey | VFSRKCNYYCXRGI-QWZIDGQXSA-N |
| Molecular Weight | 665.144 g/mol |
| SMILES | [C@]12(C(C3CC(C)(C)CC[C@@]3(CC2)C)=CCC2[C@]3(CC[C@@](C(C3CC[C@@]12C)(C)C)(OC(=O)CCCCCCCCCCCCCCC)[H])C)C |
| SPLASH | splash10-0udi-0490000000-c2a1d2d3a67b47d66622 |
| Source of Spectrum | O-32-1358-7 |
| Wiley ID | 762967 |