| SpectraBase Spectrum ID |
4aFZHBPu30G |
| Name |
Cholesteryl 5-hexyl-2,4-dioxane-2-carboxylate |
| Alternate Name(s) |
cholest-5-en-3-yl 5-hexyl-1,4-dioxane-2-carboxylate
Cholestery 5-Hexyl-2,4-dioxane-2-carboxylate
Cholesteryl 5-hexyl-1,4-dioxane-2-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C38H64O4 |
| InChI |
InChI=1S/C38H64O4/c1-7-8-9-10-14-30-24-41-35(25-40-30)36(39)42-29-19-21-37(5)28(23-29)15-16-31-33-18-17-32(27(4)13-11-12-26(2)3)38(33,6)22-20-34(31)37/h15,26-27,29-35H,7-14,16-25H2,1-6H3/t27-,29?,30?,31+,32-,33+,34+,35?,37+,38-/m1/s1 |
| InChIKey |
YBXIXZWIRISTOK-CWRKXIPASA-N |
| Molecular Weight |
584.926 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC(OC(C2OCC(OC2)CCCCCC)=O)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-014i-0009000000-bb8982f4d60ecaef2cc7 |
| Source of Spectrum |
C5-2002-2136-20 |
| Wiley ID |
1615098 |
