| SpectraBase Compound ID | BCHreZ45sTI |
|---|---|
| InChI | InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h24,34-35,37-39,41H,10-23,25-33H2,1-9H3/t34-,35+,37?,38?,39+,41?,43-,44+,45-,46-/m1/s1 |
| InChIKey | BHPGRVQWTLDDQX-PNGAMKHNSA-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 | B3DFyDdXewC |
|---|---|
| Name | .alpha.-Amyryl hexadecanoate |
| Alternate Name(s) | a-amyryl hexadecanoate (3beta)-urs-12-en-3-yl palmitate |
| 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)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h24,34-35,37-39,41H,10-23,25-33H2,1-9H3/t34-,35+,37?,38?,39+,41?,43-,44+,45-,46-/m1/s1 |
| InChIKey | BHPGRVQWTLDDQX-PNGAMKHNSA-N |
| Molecular Weight | 665.144 g/mol |
| SMILES | C1=2[C@]([C@@]3(CCC4[C@@](C3CC2)(CC[C@](OC(=O)CCCCCCCCCCCCCCC)(C4(C)C)[H])C)C)(CC[C@@]2(C1[C@]([C@@](CC2)(C)[H])(C)[H])C)C |
| SPLASH | splash10-0f79-0970100000-3f6c1bb71bd4223df3f9 |
| Source of Spectrum | O-32-1358-8 |
| Wiley ID | 762966 |