| SpectraBase Compound ID | 1b6YFiVrtcf |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-18(17-31)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h17,19-24,32H,1,7-16H2,2-6H3,(H,33,34)/t19-,20-,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1 |
| InChIKey | OTNMMCVDNMEIGO-SDKNVYGNSA-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 | Fn8n4SmKSB |
|---|---|
| Name | 3-.beta.-Hydroxy-30-oxo-lup-20(29)-en-28-oic acid |
| Alternate Name(s) | (3beta,13alpha,18beta)-3-hydroxy-29-oxolup-20(30)-en-28-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-18(17-31)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h17,19-24,32H,1,7-16H2,2-6H3,(H,33,34)/t19-,20-,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1 |
| InChIKey | OTNMMCVDNMEIGO-SDKNVYGNSA-N |
| Molecular Weight | 470.694 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@@]3([C@]([C@@]4(CC[C@@]5(C(=O)O)CC[C@]([C@]5([C@@]4(CC3)[H])[H])(C(=C)C=O)[H])C)(CC[C@]2(C1(C)C)[H])C)[H])C)[H] |
| SPLASH | splash10-052r-0950800000-26b7e44fbe2f50f013b5 |
| Source of Spectrum | Y1-34-627-7 |
| Wiley ID | 1526540 |