| SpectraBase Compound ID | AsZLyoRpmhw |
|---|---|
| InChI | InChI=1S/C27H46O/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27-24(28-27)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19?,20-,21+,22-,23-,24?,25+,26+,27-/m0/s1 |
| InChIKey | YSHCPAAHOVSKSB-DINKDSGFSA-N |
| Mol Weight | 386.7 g/mol |
| Molecular Formula | C27H46O |
| Exact Mass | 386.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F40R7lK3F54 |
|---|---|
| Name | 4,5.beta.-Epoxychlestane |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O |
| InChI | InChI=1S/C27H46O/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27-24(28-27)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19?,20-,21+,22-,23-,24?,25+,26+,27-/m0/s1 |
| InChIKey | YSHCPAAHOVSKSB-DINKDSGFSA-N |
| Molecular Weight | 386.664 g/mol |
| SMILES | [C@]123OC3CCC[C@@]1([C@]1(CC[C@]3([C@]([C@@]1(CC2)[H])(CC[C@@]3(C(CCCC(C)C)C)[H])[H])C)[H])C |
| SPLASH | splash10-000i-0009000000-3e5257d33d188f76982c |
| Source of Spectrum | K1-2004-4786-2 |
| Wiley ID | 1559973 |