| SpectraBase Compound ID | Ky7u8FCILFM |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-17(2)18-10-15-30(25(33)34)23(32)16-29(7)19(24(18)30)8-9-21-27(5)13-12-22(31)26(3,4)20(27)11-14-28(21,29)6/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20?,21+,22-,23-,24+,27-,28+,29+,30-/m0/s1 |
| InChIKey | INZNDYMBKAHLKV-PCLPJIHUSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4nO1U10NnTx |
|---|---|
| Name | 16.beta.-Hydroxy-Betulinic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-17(2)18-10-15-30(25(33)34)23(32)16-29(7)19(24(18)30)8-9-21-27(5)13-12-22(31)26(3,4)20(27)11-14-28(21,29)6/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20?,21+,22-,23-,24+,27-,28+,29+,30-/m0/s1 |
| InChIKey | INZNDYMBKAHLKV-PCLPJIHUSA-N |
| Molecular Weight | 472.710 g/mol |
| SMILES | O[C@]1(C[C@]2([C@@]3(CCC4C([C@](CC[C@@]4([C@]3(CC[C@@]2([C@@]2([C@]1(C(=O)O)CC[C@]2(C(=C)C)[H])[H])[H])[H])C)(O)[H])(C)C)C)C)[H] |
| SPLASH | splash10-0pbi-0680900000-e8bad5a6acceed68908d |
| Source of Spectrum | G4-61-458-3 |
| Synonyms | (3beta,16beta)-3,16-dihydroxylup-20(30)-en-28-oic acid |
| Wiley ID | 1607221 |