| SpectraBase Compound ID | CtsVu6xoQXG |
|---|---|
| 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-/m1/s1 |
| InChIKey | JFSHUTJDVKUMTJ-BBXTWPCCSA-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 | D8FQf7vpCRI |
|---|---|
| Name | OLEAN-12-EN-3.BETA.-OL |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. 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-/m1/s1 |
| InChIKey | JFSHUTJDVKUMTJ-BBXTWPCCSA-N |
| Molecular Weight | 426.729 g/mol |
| Nominal Mass | 426 u |
| Number of Peaks | 243 |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC=C4[C@]5(CC(CC[C@@]5(CC[C@]4([C@@]3(CC[C@]2(C1(C)C)[H])C)C)C)(C)C)[H])[H])C)[H] |
| SPLASH | splash10-014i-3690000000-e3e036f3bb2c18e63515 |
| Source File Reference | LMCM-83297-094K |
| Source of Spectrum | Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms | BETA-AMYRIN .BETA.-AMYRIN OLEAN-12-EN-3-OL (3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol |
| Wiley ID | 8_39148 |