| SpectraBase Compound ID | 6WTQH2KayGb |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-17(2)23-19(31)16-30(25(33)34)15-14-28(6)18(24(23)30)8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-29(21,28)7/h18,20-24,32H,1,8-16H2,2-7H3,(H,33,34)/t18?,20?,21?,22-,23?,24-,27-,28+,29+,30+/m0/s1 |
| InChIKey | MXJMQPDZBSPQBW-DNVIXDFZSA-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 | 4x7vorfQric |
|---|---|
| Name | 2-Keto-Betulinic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-17(2)23-19(31)16-30(25(33)34)15-14-28(6)18(24(23)30)8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-29(21,28)7/h18,20-24,32H,1,8-16H2,2-7H3,(H,33,34)/t18?,20?,21?,22-,23?,24-,27-,28+,29+,30+/m0/s1 |
| InChIKey | MXJMQPDZBSPQBW-DNVIXDFZSA-N |
| Molecular Weight | 470.694 g/mol |
| SMILES | O[C@@]1(C(C2[C@@](C3CCC4[C@@]5([C@@](C(=O)O)(CC[C@]4([C@@]3(CC2)C)C)CC(C5C(=C)C)=O)[H])(CC1)C)(C)C)[H] |
| SPLASH | splash10-00dr-0320900000-d2ecc3aee40bf1a6f8d1 |
| Source of Spectrum | G4-61-458-2 |
| Wiley ID | 1607222 |