| SpectraBase Compound ID | Kkz2JXnEVu9 |
|---|---|
| InChI | InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1 |
| InChIKey | FSLPMRQHCOLESF-SFMCKYFRSA-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 | 6QYrcnGoSSX |
|---|---|
| Name | alpha-Amyrin |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 29831 |
| Lot Number | 0686829-2 |
| Accessory | DurasamplIR II |
| CAS Registry Number | 638-95-9 |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.386166229 u |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1 |
| InChIKey | FSLPMRQHCOLESF-SFMCKYFRSA-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)(CC[C@]([C@@]5(C)[H])(C)[H])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)-urs-12-en-3-ol NSC 114787 |
| Technique | ATR-Neat |