| SpectraBase Compound ID | 9IwO7oxzJOf |
|---|---|
| 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-JWDOTDQPSA-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 | 4KkW9ezuaQg |
|---|---|
| Name | Olean-12(13)-en-3.beta.-hexadecanoate |
| Appearance | Colorless waxy solid |
| 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-JWDOTDQPSA-N |
| Instrument Name | Finnigan MAT 12 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1016/j.jscs.2021.101324 |
| Optical Rotation | [a]D20 = +67 (c = 1.2, CHCl3) |
| Reported Formula | C46H80O2 |
| SMILES | C1C[C@]2([C@](C([C@]1(OC(CCCCCCCCCCCCCCC)=O)[H])(C)C)(CC[C@@]1([C@@]2(CC=C2[C@]1(CC[C@@]1([C@]2(CC(CC1)(C)C)[H])C)C)[H])C)[H])C |
| SPLASH | splash10-066r-0390301000-24d193b501517db9ae72 |
| Source of Spectrum | SCS-25-SM4-7 |
| Wiley ID | 1879637 |