| SpectraBase Compound ID | Ed1Rv9Mn5oV |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-19(2)15-6-4-14-12(13(15)5-8-17(19)21)10-11-20(3)16(14)7-9-18(20)22/h12-16,18,22H,4-11H2,1-3H3 |
| InChIKey | YGUPBLVLOZFOJV-UHFFFAOYSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8gTNbNq3fbd |
|---|---|
| Name | Estran-3-one, 17-hydroxy-4,4-dimethyl-, (5.alpha.,17.beta.)- |
| CAS Registry Number | 2059-40-7 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-19(2)15-6-4-14-12(13(15)5-8-17(19)21)10-11-20(3)16(14)7-9-18(20)22/h12-16,18,22H,4-11H2,1-3H3 |
| InChIKey | YGUPBLVLOZFOJV-UHFFFAOYSA-N |
| Molecular Weight | 304.474 g/mol |
| SMILES | OC1C2(C)C(C3C(CC2)C2C(CC3)C(C)(C)C(CC2)=O)CC1 |
| SPLASH | splash10-0zfv-9742000000-53e9a5f43f80803671c7 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 17-Hydroxy-4,4-dimethylestran-3-one 17-hydroxy-4,4,13-trimethyl-1,2,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 4,4,13-trimethyl-17-oxidanyl-1,2,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 5.alpha.-Estran-3-one, 17.beta.-hydroxy-4,4-dimethyl- |
| Wiley ID | 1306833 |