| SpectraBase Compound ID | 77W0Kz8Tm06 |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20?,21?,22?,24?,27-,28-,29+,30-/m0/s1 |
| InChIKey | SLJTWDNVZKIDAU-MMGSQHNKSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C30H46O3 |
| Exact Mass | 454.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I4N4eVkyX7H |
|---|---|
| Name | Betulonic acid (3-oxo-20(29)-lupen-28-oic acid) |
| Comments | Removed - expert review: contamination (chloroform)) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O3 |
| InChI | InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20?,21?,22?,24?,27-,28-,29+,30-/m0/s1 |
| InChIKey | SLJTWDNVZKIDAU-MMGSQHNKSA-N |
| Molecular Weight | 454.695 g/mol |
| SMILES | OC([C@]12CC[C@@]3([C@]4(C([C@]5(CCC(C(C5CC4)(C)C)=O)C)CCC3C2[C@@](CC1)(C(=C)C)[H])C)C)=O |
| SPLASH | splash10-001r-9100000000-422414e448dc52dfba8b |
| Source of Spectrum | QA-47-559-12 |
| Wiley ID | 863524 |