| SpectraBase Compound ID | IGTl1jbSYMO |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h10,19-24,31H,8-9,11-17H2,1-7H3,(H,32,33)/t19-,20-,21?,22-,23+,24-,27+,28-,29-,30+/m1/s1 |
| InChIKey | HNJKFVJZKCXLRL-MSPLHEEOSA-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 | Bxc8RcVSVIX |
|---|---|
| Name | 3.beta.-Hydroxy-18.alpha.,19.alpha.-urs-20-en-28-oic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h10,19-24,31H,8-9,11-17H2,1-7H3,(H,32,33)/t19-,20-,21?,22-,23+,24-,27+,28-,29-,30+/m1/s1 |
| InChIKey | HNJKFVJZKCXLRL-MSPLHEEOSA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@@]3([C@]([C@@]4(CC[C@@]5(C(=O)O)CC=C([C@]([C@@]5([C@]4(CC3)[H])[H])(C)[H])C)C)(CCC2C1(C)C)C)[H])C)[H] |
| SPLASH | splash10-0a4s-0052900000-688b0b75514f1c687ab8 |
| Source of Spectrum | X2-68-580-2 |
| Synonyms | (3beta,9alpha,13beta,18alpha,19alpha)-3-hydroxyurs-20-en-28-oic acid |
| Wiley ID | 1609543 |