| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DJ5vSfdQS0r |
|---|---|
| Name | .beta.-amyrin |
| Carrier Gas | Nitrogen (2 mL/min) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O |
| GC Oven Program | Oven temp 200oC |
| 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 | Fisons GC 8000-MD 800 |
| Ionization Type | EI Positive ion |
| Literature Reference DOI | 10.1002/jssc.200600253 |
| Molecular Weight | 426.729 g/mol |
| Quality | 333 |
| SMILES | O[C@]1(CC[C@]2([C@](C1(C)C)(CC[C@@]1([C@@]2(CC=C2[C@]1(CC[C@@]1([C@]2(CC(CC1)(C)C)[H])C)C)[H])C)[H])C)[H] |
| SPLASH | splash10-014i-7690000000-a2aed3c134c1c2b62fa0 |
| Source of Spectrum | SEP-30-750-beta-amyrin (DOI: 10.1002/jssc.200600253) |
| Wiley ID | 1907943 |