| SpectraBase Compound ID | BMMQygVB6kP |
|---|---|
| InChI | InChI=1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1 |
| InChIKey | MIROITGPMGDCGI-MQXQNARFSA-N |
| Mol Weight | 526.8 g/mol |
| Molecular Formula | C34H54O4 |
| Exact Mass | 526.40221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HF94iOUkvbF |
|---|---|
| Name | Lup-20(29)-en-3.beta.,28-di-yl acetate |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H54O4 |
| InChI | InChI=1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1 |
| InChIKey | MIROITGPMGDCGI-MQXQNARFSA-N |
| Instrument Name | Finnigan Polaris Q GCMS Benchtop Ion Trap |
| Ionization Type | EI |
| Molecular Weight | 526.802 g/mol |
| SMILES | CC1(C)[C@](CC[C@]2([C@]1(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]1([C@@]2([C@@](CC1)(C(C)=C)[H])[H])COC(=O)C)C)[H])[H])C)[H])C)(OC(C)=O)[H] |
| SPLASH | splash10-0frl-1940200000-2e4170569fb2277d68a8 |
| Source of Spectrum | WO2010134830A1 |
| Wiley ID | 1844314 |