| SpectraBase Spectrum ID |
IIViOmeAo2R |
| Name |
Lupeol acetate |
| CAS Registry Number |
1617-68-1 |
| 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 |
468.396730912 u |
| Formula |
C32H52O2 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1 |
| InChIKey |
ODSSDTBFHAYYMD-YOJQYFTNSA-N |
| Molecular Weight |
468.766 g/mol |
| Nominal Mass |
468 u |
| Number of Peaks |
282 |
| SMILES |
[C@]1(OC(=O)C)(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 |
splash10-052o-4930000000-e72d10bc5fa50a0863b0 |
| Source |
authentic preparation |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI000367 |
