| SpectraBase Compound ID | CzjtD4IxOV7 |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,18+/m1/s1 |
| InChIKey | UOUIARGWRPHDBX-DHMVHTBWSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C18H28O2 |
| Exact Mass | 276.20893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C0R14AKfYIw |
|---|---|
| Name | 3a-hydroxy-5b-estran-17-one |
| Alternate Name(s) | (3R,5R,8R,9R,10S,13S,14S)-13-methyl-3-oxidanyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one (3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one |
| CAS Registry Number | 33036-33-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H28O2 |
| InChI | InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,18+/m1/s1 |
| InChIKey | UOUIARGWRPHDBX-DHMVHTBWSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | O[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C1)[H])[H])(CCC4=O)[H])C)[H])[H])[H] |
| SPLASH | splash10-0r33-2490000000-9e0e77acac2f0810e7f2 |
| Source of Spectrum | O-31-309-0 |
| Wiley ID | 1280506 |