| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6ZwGvIrhdXa |
|---|---|
| Name | URS-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/c1-19-11-14-27(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 |
| Molecular Weight | 426.729 g/mol |
| Nominal Mass | 426 u |
| Number of Peaks | 320 |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC=C4[C@@]5([C@]([C@@](CC[C@@]5(CC[C@]4([C@@]3(CC[C@]2(C1(C)C)[H])C)C)C)(C)[H])(C)[H])[H])[H])C)[H] |
| SPLASH | splash10-014i-8970100000-76acf5e2159fe99b96ea |
| Source File Reference | LMCM-62727-422Z |
| Source of Spectrum | Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms | .ALPHA.-AMYRIN ALPHA-AMYRIN URS-12-EN-3-OL (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-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_11297 |