| SpectraBase Compound ID | KGjDiAOLxkH |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20?,21?,22?,23?,25?,27-,28+,29+,30+/m0/s1 |
| InChIKey | JYDNKGUBLIKNAM-DVIJVVAPSA-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 | FNwIfmtxflq |
|---|---|
| Name | Betulone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20?,21?,22?,23?,25?,27-,28+,29+,30+/m0/s1 |
| InChIKey | JYDNKGUBLIKNAM-DVIJVVAPSA-N |
| Molecular Weight | 440.712 g/mol |
| SMILES | OC[C@@]12CC[C@]3([C@]4(C([C@]5(CCC(C(C5CC4)(C)C)=O)C)CCC3C1C(C(=C)C)CC2)C)C |
| SPLASH | splash10-00kf-9000000000-19459618a8dd5d357d87 |
| Source of Spectrum | MZ-34-3932-0 |
| Wiley ID | 1582699 |