| SpectraBase Compound ID | JthnekpPW29 |
|---|---|
| InChI | InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1 |
| InChIKey | JFSHUTJDVKUMTJ-QHPUVITPSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | K61sKotjkKA |
|---|---|
| Name | beta-Amyrin |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 20949 |
| Lot Number | 0536677-23 |
| Accessory | DurasamplIR II |
| CAS Registry Number | 559-70-6 |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.386166229 u |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1 |
| InChIKey | JFSHUTJDVKUMTJ-QHPUVITPSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 426.729 g/mol |
| Purity | ≥95% |
| Resolution | 4 |
| SMILES | O[C@@]1(C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C)[H] |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | (3β)-olean-12-en-3-ol (+)-β-Amyrin NSC 527971 Olean-12-en-3β-ol |
| Technique | ATR-Neat |