![Triterpene [3.beta.-hydroxy-4,4-dimethyl-8.alpha.-methylcholesta-24-en-12.beta.-ol-23-one]](/api/spectrum/EGIqlafqw8y/structure.png?h=300&w=458 "Triterpene [3.beta.-hydroxy-4,4-dimethyl-8.alpha.-methylcholesta-24-en-12.beta.-ol-23-one]")
| SpectraBase Compound ID | LSlDR1YJKYO |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-18(2)15-20(31)16-19(3)21-9-10-23-29(7)13-11-22-27(4,5)25(32)12-14-28(22,6)24(29)17-26(33)30(21,23)8/h15,19,21-26,32-33H,9-14,16-17H2,1-8H3/t19-,21-,22?,23+,24-,25+,26-,28+,29-,30-/m1/s1 |
| InChIKey | LKHPINZKFMGDKQ-GEGXMINMSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EGIqlafqw8y |
|---|---|
| Name | Triterpene [3.beta.-hydroxy-4,4-dimethyl-8.alpha.-methylcholesta-24-en-12.beta.-ol-23-one] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.375995467 u |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-18(2)15-20(31)16-19(3)21-9-10-23-29(7)13-11-22-27(4,5)25(32)12-14-28(22,6)24(29)17-26(33)30(21,23)8/h15,19,21-26,32-33H,9-14,16-17H2,1-8H3/t19-,21-,22?,23+,24-,25+,26-,28+,29-,30-/m1/s1 |
| InChIKey | LKHPINZKFMGDKQ-GEGXMINMSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | [C@@]12([C@@]([C@]3(CC[C@@](C(C3CC2)(C)C)(O)[H])C)(C[C@]([C@]2([C@]1(CC[C@@]2([C@@](CC(C=C(C)C)=O)(C)[H])[H])[H])C)(O)[H])[H])C |