| SpectraBase Compound ID | 6CYoVVrWgcC |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-20(2)8-7-9-21(3)24-10-11-25-27-22(4)18-23-19-30(31-16-17-32-30)15-14-28(23,5)26(27)12-13-29(24,25)6/h18,20-22,24-27H,7-17,19H2,1-6H3/t21-,22-,24-,25+,26+,27+,28+,29-/m1/s1 |
| InChIKey | VVXZXTXPCWHVIW-GZXJXQKYSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3kLI94t1c05 |
|---|---|
| Name | 7.alpha.-Methyl-3-ethylenedioxycholest-5-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-20(2)8-7-9-21(3)24-10-11-25-27-22(4)18-23-19-30(31-16-17-32-30)15-14-28(23,5)26(27)12-13-29(24,25)6/h18,20-22,24-27H,7-17,19H2,1-6H3/t21-,22-,24-,25+,26+,27+,28+,29-/m1/s1 |
| InChIKey | VVXZXTXPCWHVIW-GZXJXQKYSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | [C@@]12([C@]([C@@]3([C@@](C=C4[C@@]([C@]3(CC2)[H])(CCC2(C4)OCCO2)C)(C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0002-9000000000-061b955ac0a025081730 |
| Source of Spectrum | QC-9-1632-7 |
| Wiley ID | 870497 |