| SpectraBase Spectrum ID |
HgyRV3s52P3 |
| Name |
4'.alpha.-(2""""-Ketobutyl cyclohexyl) 20.alpha.-eicosan-14.alpha.-ol-1-oic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.417860279 u |
| Formula |
C30H56O4 |
| InChI |
InChI=1S/C30H56O4/c1-2-28(31)25-27-23-21-26(22-24-27)17-13-11-12-15-19-29(32)18-14-9-7-5-3-4-6-8-10-16-20-30(33)34/h26-27,29,32H,2-25H2,1H3,(H,33,34)/t26-,27+,29-/m1/s1 |
| InChIKey |
QBUYXUDIJYGFHU-IUAQSZDVSA-N |
| Molecular Weight |
480.774 g/mol |
| SMILES |
C(C(CC)=O)[C@]1([H])CC[C@]([H])(CCCCCC[C@@]([H])(CCCCCCCCCCCCC(O)=O)O)CC1 |
