| SpectraBase Compound ID | I9KwTUpwil1 |
|---|---|
| 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-OIGBLECZSA-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 | r9HJ7N2Fis |
|---|---|
| Name | Lupenone |
| Appearance | White powder |
| 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-OIGBLECZSA-N |
| Instrument Name | Hewlett-Packard HP 6890 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np100415m |
| Molecular Weight | 424.713 g/mol |
| SMILES | C1C[C@]2([C@](C(C1=O)(C)C)(CC[C@@]1(C2CCC2[C@]1(CC[C@@]1(C2[C@@](CC1)(C(=C)C)[H])C)C)C)[H])C |
| SPLASH | splash10-0a4j-9772400000-96efc05038bc2de11962 |
| Source of Spectrum | G4-74-565-10 |
| Wiley ID | 1849058 |