| SpectraBase Compound ID | 9WoUcVOsO9L |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20?,21?,22?,23-,24?,27-,28+,29+,30-/m0/s1 |
| InChIKey | QGJZLNKBHJESQX-UOTMTCHLSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C8vhXj7zOBO |
|---|---|
| Name | Betulinic acid |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.360345403 u |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20?,21?,22?,23-,24?,27-,28+,29+,30-/m0/s1 |
| InChIKey | QGJZLNKBHJESQX-UOTMTCHLSA-N |
| Instrument Name | JMS-AX505WA HP5890 Series II |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/bkcs.12650 |
| Molecular Weight | 456.711 g/mol |
| Quality | 805 |
| SMILES | O[C@]1(CC[C@@]2(C3CCC4C5[C@@](C(O)=O)(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)CC[C@]5(C(C)=C)[H])C)[H] |
| SPLASH | splash10-052s-2951200000-d96d2ced049407ccd456 |
| Source of Spectrum | QB-44-SM11-2 (DOI: 10.1002/bkcs.12650) |
| Wiley ID | 1911300 |