Structure image not uploaded
FAG-CH-0014
Betulinic acid
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 439.357019 |
| CAS Number | 472-15-1 |
| PubChem CID | 64971 ↗ |
| InChIKey | QGJZLNKBHJESQX-FZFNOLFKSA-N |
| SMILES | C1[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC[C@@]2([C@@]4([C@](CC[C@@]32C)(C(O)=O)CC[C@H]4C(C)=C)[H])[H])C(C)(C)[C@@H](O)C1 |
| Category | Organic acids and derivatives |
| Confidence Level | level1 |
Adducts: M+H-H2O | Ion mode: POS | Score: 58.5 | Frag Score: 57.9 | Mass Error: -2.25 ppm
External References
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HMDBHMDB: HMDB0030094Open
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METLINMETLIN: 44088Open
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LipidMapsLipidMaps: LMPR0106140004Open
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KEGGKEGG: C08619Open
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PubChemPubChem: 64971Open
Found In
| Plant | Extract | Type | RT | Intensity |
|---|---|---|---|---|
| Fagonia | Fagonia Chloroform Extract | Chloroform | 12.52 | 3,350,874 |