| SpectraBase Compound ID | 2qMDrqSfzVu |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-14(24)25-20-9-8-18-16-6-7-17-15(13-23)5-4-11-21(17,2)19(16)10-12-22(18,20)3/h13,15-20H,4-12H2,1-3H3/t15-,16+,17-,18+,19+,20+,21+,22+/m1/s1 |
| InChIKey | NVRGGGSKGNUZHX-KCTWHOTLSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C22H34O3 |
| Exact Mass | 346.250795 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2kn6tdTLTiH |
|---|---|
| Name | 4.beta.-Formyl-17-.beta.-acetoxy-5.beta.-androstane |
| Alternate Name(s) | (4beta,5beta,17beta)-4-formylandrostan-17-yl acetate Acetic acid[(4S,5R,8R,9S,10R,13S,14S,17S)-4-formyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ester [(4S,5R,8R,9S,10R,13S,14S,17S)-4-formyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]acetate [(4S,5R,8R,9S,10R,13S,14S,17S)-4-methanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoate [(4S,5R,8R,9S,10R,13S,14S,17S)-4-formyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate [(4S,5R,8R,9S,10R,13S,14S,17S)-4-methanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-14(24)25-20-9-8-18-16-6-7-17-15(13-23)5-4-11-21(17,2)19(16)10-12-22(18,20)3/h13,15-20H,4-12H2,1-3H3/t15-,16+,17-,18+,19+,20+,21+,22+/m1/s1 |
| InChIKey | NVRGGGSKGNUZHX-KCTWHOTLSA-N |
| Molecular Weight | 346.511 g/mol |
| SMILES | C1CC[C@]2([C@@]([C@]1(C=O)[H])(CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(OC(=O)C)[H])[H])[H])[H])C |
| SPLASH | splash10-0007-9432000000-3f0d8accbc0451523f4a |
| Source of Spectrum | KD-12-1087-3 |
| Wiley ID | 1634417 |