| SpectraBase Compound ID | EKZbrHg11CK |
|---|---|
| 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/h9,20,22-25,31H,1,10-18H2,2-8H3/t20-,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | NHXFTAGREZWYPK-OAJQMFOOSA-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 | HXBKUZWFcg5 |
|---|---|
| Name | Lupeol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.370516165 u |
| 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/h9,20,22-25,31H,1,10-18H2,2-8H3/t20-,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | NHXFTAGREZWYPK-OAJQMFOOSA-N |
| Instrument Name | JEOL MSRoute-600H |
| Ionization Type | EI Positive ion |
| Literature Reference DOI | 10.1016/j.rechem.2022.100322 |
| Molecular Weight | 424.713 g/mol |
| SMILES | O[C@@]1(C([C@]2([C@](CC1)([C@@]1([C@@](CC2)([C@]2(C(=CC1)[C@@]1([C@](CC2)(C)CC[C@]1(C(=C)C)[H])[H])C)C)[H])C)[H])(C)C)[H] |
| SPLASH | splash10-052r-4920100000-03756cf9139c9e852539 |
| Source of Spectrum | REC-4-SM3-2 (DOI: 10.1016/j.rechem.2022.100322) |
| Wiley ID | 1911788 |