| SpectraBase Compound ID | QCzK5QrtQR |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-18(2)19-9-12-27(5)15-16-29(7)20(24(19)27)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h19-22,24-25,31H,1,9-17H2,2-8H3/t19-,20-,21+,22-,24-,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | XRTGGEDZRXMTSN-MEKJSECDSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C30H48O2 |
| Exact Mass | 440.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 58w5PtDYaHn |
|---|---|
| Name | (11-.alpha.)-11-hydroxylup-20(29)-en-3-one |
| Alternate Name(s) | (11alpha,13alpha,18beta)-11-hydroxylup-20(30)-en-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-18(2)19-9-12-27(5)15-16-29(7)20(24(19)27)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h19-22,24-25,31H,1,9-17H2,2-8H3/t19-,20-,21+,22-,24-,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | XRTGGEDZRXMTSN-MEKJSECDSA-N |
| Molecular Weight | 440.712 g/mol |
| SMILES | O[C@]1([C@@]2([C@]3(CCC(C([C@@]3(CC[C@]2([C@]2([C@@]([C@@]3([C@](C(=C)C)(CC[C@@]3(CC2)C)[H])[H])([H])C1)C)C)[H])(C)C)=O)C)[H])[H] |
| SPLASH | splash10-0006-9010200000-53d75c7798d5e6af7aa1 |
| Source of Spectrum | C-88-1108-3 |
| Wiley ID | 1590223 |