| SpectraBase Compound ID | 8KN1Ym8MczO |
|---|---|
| InChI | InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-41(47)48-40-29-31-44(7)37(42(40,4)5)28-33-46(9)39(44)25-24-38-43(6)30-26-35(34(2)3)36(43)27-32-45(38,46)8/h35-40H,2,10-33H2,1,3-9H3/t35-,36+,37+,38-,39-,40+,43+,44+,45-,46-/m1/s1 |
| InChIKey | HABFHSNAEWDJCC-ZUFODOQISA-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 | ec0YgutTCN |
|---|---|
| Name | Hopenyl 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/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-41(47)48-40-29-31-44(7)37(42(40,4)5)28-33-46(9)39(44)25-24-38-43(6)30-26-35(34(2)3)36(43)27-32-45(38,46)8/h35-40H,2,10-33H2,1,3-9H3/t35-,36+,37+,38-,39-,40+,43+,44+,45-,46-/m1/s1 |
| InChIKey | HABFHSNAEWDJCC-ZUFODOQISA-N |
| Instrument Name | JEOL HX 110 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0201220 |
| Optical Rotation | [a]D = +37.8 (c = 0.56, CHCl3) |
| Reported Formula | C46H80O2 |
| SMILES | C1C[C@]2([C@](C([C@]1(OC(CCCCCCCCCCCCCCC)=O)[H])(C)C)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]1([C@@]2(CC[C@@]1(C(C)=C)[H])C)[H])C)[H])[H])C)[H])C |
| SPLASH | splash10-0rki-6972411000-0523e1b8dc8f9102c384 |
| Source of Spectrum | G4-65-1224-2 |
| Synonyms | Hopenyl Palmitate |
| Wiley ID | 1883823 |