| SpectraBase Compound ID | BDARSKgIMz4 |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)17-25)16-20(31)23-27(5)10-9-22(32)26(3,4)21(27)8-11-29(23,28)7/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,22+,23+,27-,28+,29+,30-/m0/s1 |
| InChIKey | ILTQYWVUOPDTOL-WDYOJZSZSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6eBQLEJLcN3 |
|---|---|
| Name | 3.alpha.-Hydroxy-3-oxoolean-12-en-28-oic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)17-25)16-20(31)23-27(5)10-9-22(32)26(3,4)21(27)8-11-29(23,28)7/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,22+,23+,27-,28+,29+,30-/m0/s1 |
| InChIKey | ILTQYWVUOPDTOL-WDYOJZSZSA-N |
| Molecular Weight | 470.694 g/mol |
| SMILES | O[C@@]1(CC[C@@]2([C@@]3([C@]([C@]4(C([C@]5([C@@](C(=O)O)(CC4)CCC(C5)(C)C)[H])=CC3=O)C)(CCC2C1(C)C)C)[H])C)[H] |
| SPLASH | splash10-0o99-0982100000-11a693412d941c5902ee |
| Source of Spectrum | G4-69-144-2 |
| Wiley ID | 1694617 |