| SpectraBase Compound ID | 9wk8fYFaeHx |
|---|---|
| InChI | InChI=1S/C28H35ClO3/c1-17-7-10-23-22-9-8-19-16-21(30)11-13-27(19,2)24(22)12-14-28(23,3)25(17)32-26(31)18-5-4-6-20(29)15-18/h4-6,15-17,22-25H,7-14H2,1-3H3/t17-,22?,23?,24?,25+,27+,28+/m1/s1 |
| InChIKey | PUJKMQCSQHPILP-LEPAZGDNSA-N |
| Mol Weight | 455.0 g/mol |
| Molecular Formula | C28H35ClO3 |
| Exact Mass | 454.227473 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4cPmsux4S4K |
|---|---|
| Name | 17.alpha.,.beta.-(3-Chlorobenzoyloxy)-17.alpha.-methyl-D-homoandrost-4-en-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H35ClO3 |
| InChI | InChI=1S/C28H35ClO3/c1-17-7-10-23-22-9-8-19-16-21(30)11-13-27(19,2)24(22)12-14-28(23,3)25(17)32-26(31)18-5-4-6-20(29)15-18/h4-6,15-17,22-25H,7-14H2,1-3H3/t17-,22?,23?,24?,25+,27+,28+/m1/s1 |
| InChIKey | PUJKMQCSQHPILP-LEPAZGDNSA-N |
| Molecular Weight | 455.038 g/mol |
| SMILES | [C@@]12(C(C3CCC=4[C@@](C3CC2)(CCC(=O)C4)C)CC[C@]([C@@]1(OC(c1cc(Cl)ccc1)=O)[H])(C)[H])C |
| SPLASH | splash10-06ri-1920000000-65dcf763b61e609e6c21 |
| Source of Spectrum | K-2001-1516-11 |
| Wiley ID | 1579229 |