| SpectraBase Compound ID | KWT0LCKAHsH |
|---|---|
| InChI | InChI=1S/C21H34O/c1-13(2)17-12-18-14(11-20(17)22)6-7-16-15(18)8-10-21(3)9-4-5-19(16)21/h13-19H,4-12H2,1-3H3 |
| InChIKey | HGMANOWRPMYPFZ-UHFFFAOYSA-N |
| Mol Weight | 302.5 g/mol |
| Molecular Formula | C21H34O |
| Exact Mass | 302.260966 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FaNhLLKQIr8 |
|---|---|
| Name | 5.alpha.-Estran-3-one, 2.alpha.-isopropyl- |
| Alternate Name(s) | 5.alpha.-Estran-3-one, 2.beta.-isopropyl- 2-Isopropylestran-3-one 13-Methyl-2-propan-2-yl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one 2-isopropyl-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one |
| CAS Registry Number | 1975-31-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O |
| InChI | InChI=1S/C21H34O/c1-13(2)17-12-18-14(11-20(17)22)6-7-16-15(18)8-10-21(3)9-4-5-19(16)21/h13-19H,4-12H2,1-3H3 |
| InChIKey | HGMANOWRPMYPFZ-UHFFFAOYSA-N |
| Molecular Weight | 302.502 g/mol |
| SMILES | CC12C(C3C(CC2)C2C(CC3)CC(C(C2)C(C)C)=O)CCC1 |
| SPLASH | splash10-02u1-9420000000-6d94047182973620a1f0 |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 1305261 |