| SpectraBase Spectrum ID |
HOICXpQ9E5O |
| Name |
5-.beta.-Cholestan-3.alpha.-ol, octanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.474981234 u |
| Formula |
C35H62O2 |
| InChI |
InChI=1S/C35H62O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h25-32H,7-24H2,1-6H3 |
| InChIKey |
GSIWNQQLNWGLAV-UHFFFAOYSA-N |
| Molecular Weight |
514.879 g/mol |
| SMILES |
CC(C1C2(CCC3C(C2CC1)CCC1C3(CCC(C1)OC(CCCCCCC)=O)C)C)CCCC(C)C |
