| SpectraBase Compound ID | ENBoBN6EiLG |
|---|---|
| InChI | InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | GRBHNQFQFHLCHO-BHMAJAPKSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C30H48O |
| Exact Mass | 424.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B71ManTTPiV |
|---|---|
| Name | lup-20(29)-en-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | GRBHNQFQFHLCHO-BHMAJAPKSA-N |
| Instrument Name | Thermo Finnigan Polaris Q |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/rcm.2507 |
| Molecular Weight | 424.713 g/mol |
| SMILES | C1C[C@]2([C@](C(C1=O)(C)C)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]1([C@]2([H])[C@@](CC1)(C(C)=C)[H])C)C)[H])[H])C)[H])C |
| SPLASH | splash10-0a4i-4941100000-ae9b39a7bc329a510b3c |
| Source of Spectrum | RCM-20-1790-Lupenone |
| Wiley ID | 1836480 |