| SpectraBase Compound ID | 8xtqRffZ3AM |
|---|---|
| InChI | InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3 |
| InChIKey | JWMFYGXQPXQEEM-UHFFFAOYSA-N |
| Mol Weight | 288.5 g/mol |
| Molecular Formula | C21H36 |
| Exact Mass | 288.281701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B2xk1hgKxc0 |
|---|---|
| Name | Pregnane, (5.alpha.)- |
| CAS Registry Number | 641-85-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H36 |
| InChI | InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3 |
| InChIKey | JWMFYGXQPXQEEM-UHFFFAOYSA-N |
| Molecular Weight | 288.519 g/mol |
| SMILES | C12(C(C3CCC4C(C3CC2)(C)CCCC4)CCC1CC)C |
| SPLASH | splash10-014i-6790000000-ec2a6ed9fb6e82da90c1 |
| Source of Spectrum | J-7-4423-3 |
| Synonyms | 17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene Pregnane 17.beta.-Ethyletiocholane 5.alpha.-Pregnane Pregnane, (5.beta.)- 5.beta.-Pregnane Allopregnane Pregnane, (5beta)- EINECS 211-378-3 |
| Wiley ID | 42540 |