| SpectraBase Compound ID | BB8RkpUotuo |
|---|---|
| InChI | InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-25-40(47)48-39-29-31-43(6)37(42(39,4)5)28-32-46(9)38(43)27-26-36-35-24-23-30-41(2,3)44(35,7)33-34-45(36,46)8/h26,35,37-39H,10-25,27-34H2,1-9H3/t35-,37-,38+,39-,43-,44-,45+,46+/m0/s1 |
| InChIKey | LFBNQDYKXBDQSB-LEZMQJCVSA-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 | 9r52gkpWmD5 |
|---|---|
| Name | Kairatenyl 3.beta.-O-palmitate |
| Appearance | Colorless viscous liquid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H80O2 |
| InChI | InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-25-40(47)48-39-29-31-43(6)37(42(39,4)5)28-32-46(9)38(43)27-26-36-35-24-23-30-41(2,3)44(35,7)33-34-45(36,46)8/h26,35,37-39H,10-25,27-34H2,1-9H3/t35-,37-,38+,39-,43-,44-,45+,46+/m0/s1 |
| InChIKey | LFBNQDYKXBDQSB-LEZMQJCVSA-N |
| Instrument Name | JEOL HX 110 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0201220 |
| Optical Rotation | [a]D = +17.6 (c = 0.42, 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(CCCC1(C)C)[H])C)C)[H])C)[H])C |
| SPLASH | splash10-0n2i-0892201000-97ad22bed671c463a6f4 |
| Source of Spectrum | G4-65-1224-1 |
| Synonyms | Kairatenyl Palmitate |
| Wiley ID | 1883822 |