| SpectraBase Spectrum ID |
EGVqkFRGC |
| Name |
Lupeol |
| CAS Registry Number |
545-47-1 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
426.386166229 u |
| Formula |
C30H50O |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey |
MQYXUWHLBZFQQO-QGTGJCAVSA-N |
| Molecular Weight |
426.729 g/mol |
| Nominal Mass |
426 u |
| Number of Peaks |
285 |
| SMILES |
O[C@@]1(C([C@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@@](CC4)(CC[C@]5(C(C)=C)[H])C)[H])(CC3)[H])C)(CC2)C)[H])(CC1)C)[H])(C)C)[H] |
| SPLASH |
splash10-0a4r-5930000000-409de9bc15a5858f7d36 |
| Source |
Sigma-Aldrich |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI000361 |
