| SpectraBase Compound ID | 5uHtg1XGXGD |
|---|---|
| InChI | InChI=1S/C30H50O2/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/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1 |
| InChIKey | FVWJYYTZTCVBKE-ROUWMTJPSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AvwPzi5bD37 |
|---|---|
| Name | Betulin |
| Appearance | crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/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/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1 |
| InChIKey | FVWJYYTZTCVBKE-ROUWMTJPSA-N |
| Instrument Name | Finnigan MAT 12 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1016/j.jscs.2021.101324 |
| Molecular Weight | 442.728 g/mol |
| Optical Rotation | [a]D25 = +20.6 (c = 0.45, C5H5N) |
| Reported Formula | C30H50O2 |
| SMILES | O[C@@]1(C([C@@]2(CC[C@@]3([C@](CC[C@]4([C@]3(CC[C@]3(CO)[C@@]4([C@@](CC3)(C(C)=C)[H])[H])C)[H])([C@]2(CC1)C)[H])C)[H])(C)C)[H] |
| SPLASH | splash10-05fr-0050900000-0f4fe54d980584a85ade |
| Source of Spectrum | SCS-25-SM4-8 |
| Wiley ID | 1879638 |