| SpectraBase Compound ID | 5VKjeQ4DOtE |
|---|---|
| InChI | InChI=1S/C31H52O/c1-7-8-20-32-25-16-18-30(5)24(21-25)12-13-26-28-15-14-27(23(4)11-9-10-22(2)3)31(28,6)19-17-29(26)30/h7,12,22-23,25-29H,1,8-11,13-21H2,2-6H3/t23-,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | GAGAFEDXJNZIFO-BWVDWJPHSA-N |
| Mol Weight | 440.8 g/mol |
| Molecular Formula | C31H52O |
| Exact Mass | 440.401816 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4KfHpifgiLz |
|---|---|
| Name | Cholesteryl-.beta.-methallyl ether |
| Alternate Name(s) | (3beta)-3-(3-butenyloxy)cholest-5-ene Cholesteryl-.beta.-methallyl ehter |
| CAS Registry Number | 126724-30-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O |
| InChI | InChI=1S/C31H52O/c1-7-8-20-32-25-16-18-30(5)24(21-25)12-13-26-28-15-14-27(23(4)11-9-10-22(2)3)31(28,6)19-17-29(26)30/h7,12,22-23,25-29H,1,8-11,13-21H2,2-6H3/t23-,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | GAGAFEDXJNZIFO-BWVDWJPHSA-N |
| Molecular Weight | 440.756 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OCCC=C)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-05fr-1009000000-b9bb75994d32a7cb7155 |
| Source of Spectrum | J-55-3692-2 |
| Wiley ID | 1384968 |