| SpectraBase Compound ID | 4DpITcdlnKY |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1 |
| InChIKey | JYDNKGUBLIKNAM-CNRMHUMKSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C30H48O2 |
| Exact Mass | 440.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6iSKk8o5fNQ |
|---|---|
| Name | lup-20(29)-en-28-ol-3-one |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1 |
| InChIKey | JYDNKGUBLIKNAM-CNRMHUMKSA-N |
| Instrument Name | JEOL JMS BU-20 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0104673 |
| Molecular Weight | 440.712 g/mol |
| Optical Rotation | [a]D25 = 52.7 (c = 0.3, CHCl3) |
| Reported Formula | C30H48O2 |
| SMILES | OC[C@]12[C@@]([C@]3(CC[C@@]4([C@]5(CCC(C([C@@]5(CC[C@]4([C@@]3(CC1)C)C)[H])(C)C)=O)C)[H])[H])([C@@](CC2)(C(=C)C)[H])[H] |
| SPLASH | splash10-0aba-2940300000-4110a081f353ede47c4f |
| Source of Spectrum | G4-65-647-7 |
| Synonyms | Betulone |
| Wiley ID | 1881123 |