| SpectraBase Compound ID | 1dCwQrwLVZl |
|---|---|
| InChI | InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h5,7,9,13-17,21-22H,3-4,6,8,10H2,1-2H3 |
| InChIKey | FWZMPSXLPHOJIY-UHFFFAOYSA-N |
| Mol Weight | 302.41 g/mol |
| Molecular Formula | C19H26O3 |
| Exact Mass | 302.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTm6xLxI4XA |
|---|---|
| Name | Androsta-1,4-dien-3-one, 16,17-dihydroxy-, (16.beta.,17.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.188194694 u |
| Formula | C19H26O3 |
| InChI | InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h5,7,9,13-17,21-22H,3-4,6,8,10H2,1-2H3 |
| InChIKey | FWZMPSXLPHOJIY-UHFFFAOYSA-N |
| SMILES | C=1C(=O)C=C2C(C1)(C1C(C3C(CC1)(C(C(C3)O)O)C)CC2)C |