| SpectraBase Compound ID | INdEw9jruau |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-17-18(25(33)34)16-23(32)28(5)14-15-29(6)19(24(17)28)8-9-21-27(4)12-11-22(31)26(2,3)20(27)10-13-30(21,29)7/h8,17-18,20-21,23-24,32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21+,23+,24-,27-,28-,29+,30+/m0/s1 |
| InChIKey | QGMNTKNSMLYTKS-WVTBRBKVSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7vfYDxPFJxo |
|---|---|
| Name | 22.beta.-Hydroxy-3-oxo-12-ursen-30-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-17-18(25(33)34)16-23(32)28(5)14-15-29(6)19(24(17)28)8-9-21-27(4)12-11-22(31)26(2,3)20(27)10-13-30(21,29)7/h8,17-18,20-21,23-24,32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21+,23+,24-,27-,28-,29+,30+/m0/s1 |
| InChIKey | QGMNTKNSMLYTKS-WVTBRBKVSA-N |
| Molecular Weight | 470.694 g/mol |
| SMILES | O[C@]1([C@@]2(CC[C@@]3(C([C@@]2([C@]([C@](C(=O)O)(C1)[H])(C)[H])[H])=CC[C@@]1([C@@]2(C(CC[C@@]31C)C(C(CC2)=O)(C)C)C)[H])C)C)[H] |
| SPLASH | splash10-0229-1390000000-198cb2711271f8f35393 |
| Source of Spectrum | KC-57-8421-8 |
| Synonyms | (9alpha,22beta)-22-hydroxy-3-oxours-12-en-30-oic acid |
| Wiley ID | 1626071 |