| SpectraBase Compound ID | 7mpVfvE1UgF |
|---|---|
| InChI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)23(25(20)27)12-15-28(6)22-9-10-24(31)26(3,4)21(22)13-16-30(28,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22?,23?,24?,25?,27+,28-,29+,30+/m0/s1 |
| InChIKey | WKDSQSFPEGCDJG-MPOVAGQVSA-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 | JhbwsFaj9pO |
|---|---|
| Name | Lupeol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)23(25(20)27)12-15-28(6)22-9-10-24(31)26(3,4)21(22)13-16-30(28,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22?,23?,24?,25?,27+,28-,29+,30+/m0/s1 |
| InChIKey | WKDSQSFPEGCDJG-MPOVAGQVSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | OC1C([C@@]2(CC[C@]3([C@]4(C(C5[C@](C(=C)C)(CC[C@@]5(CC4)C)[H])CC[C@]3(C2CC1)C)C)C)[H])(C)C |
| SPLASH | splash10-05n0-0790400000-3246a29a94da071f8551 |
| Source of Spectrum | G4-69-66-1 |
| Wiley ID | 1694641 |