| SpectraBase Compound ID | HY8dOec2i2L |
|---|---|
| InChI | InChI=1S/C32H48O5/c1-17-9-14-31-16-15-30(8)29(7)13-10-20-27(4,5)21(35-19(3)33)11-12-28(20,6)24(29)22-25(36-22)32(30,37-26(31)34)23(31)18(17)2/h17-18,20-25H,9-16H2,1-8H3/t17-,18+,20+,21+,22+,23-,24-,25+,28+,29-,30+,31+,32-/m1/s1 |
| InChIKey | YAMVHWVYHOZWMH-FSVVYOEGSA-N |
| Mol Weight | 512.7 g/mol |
| Molecular Formula | C32H48O5 |
| Exact Mass | 512.350175 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HinGpnO47zk |
|---|---|
| Name | 3.beta.-(Acetyloxy)-11.alpha.,12.alpha.-epoxy-13-hydroxyursan-28-oic acid .gamma-lcatone |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H48O5 |
| InChI | InChI=1S/C32H48O5/c1-17-9-14-31-16-15-30(8)29(7)13-10-20-27(4,5)21(35-19(3)33)11-12-28(20,6)24(29)22-25(36-22)32(30,37-26(31)34)23(31)18(17)2/h17-18,20-25H,9-16H2,1-8H3/t17-,18+,20+,21+,22+,23-,24-,25+,28+,29-,30+,31+,32-/m1/s1 |
| InChIKey | YAMVHWVYHOZWMH-FSVVYOEGSA-N |
| Molecular Weight | 512.731 g/mol |
| SMILES | [C@]123[C@@]4([C@@](O4)([C@]4([C@]([C@@]1(CC[C@@]1([C@]2([C@]([C@@](CC1)(C)[H])(C)[H])[H])C(O3)=O)C)(CC[C@]1(C([C@@](OC(=O)C)(CC[C@]41C)[H])(C)C)[H])C)[H])[H])[H] |
| SPLASH | splash10-01p9-0900080000-61c5db03f530553b515a |
| Source of Spectrum | F-50-11481-8 |
| Wiley ID | 789483 |