| SpectraBase Compound ID | IITMtCVzZEM |
|---|---|
| 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-FZFNOLFKSA-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 | Hd9djawxt6q |
|---|---|
| Name | 3-hydroxy-lup-20(29)-en-28-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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-FZFNOLFKSA-N |
| Instrument Name | Thermo Finnigan Polaris Q |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/rcm.2507 |
| Molecular Weight | 456.711 g/mol |
| SMILES | O[C@]1(CC[C@]2([C@@](CC[C@@]3([C@@]2(CC[C@]2([C@]3(CC[C@]3(C(O)=O)[C@]2([H])[C@@](CC3)(C(C)=C)[H])C)[H])[H])C)(C1(C)C)[H])C)[H] |
| SPLASH | splash10-059i-2931000000-6300abef8713c89667f2 |
| Source of Spectrum | RCM-20-1790-Betulinic acid |
| Wiley ID | 1836478 |