| SpectraBase Compound ID | J5E1z1UddzV |
|---|---|
| InChI | InChI=1S/C19H26O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-17,20-21H,3-8H2,1-2H3 |
| InChIKey | YFECXKBRYLRUTI-UHFFFAOYSA-N |
| Mol Weight | 286.42 g/mol |
| Molecular Formula | C19H26O2 |
| Exact Mass | 286.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4z8eSlcg0da |
|---|---|
| Name | Estra-1,3,5(10)-triene-3,17-diol, 1-methyl-, (17.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.193280075 u |
| Formula | C19H26O2 |
| InChI | InChI=1S/C19H26O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-17,20-21H,3-8H2,1-2H3 |
| InChIKey | YFECXKBRYLRUTI-UHFFFAOYSA-N |
| SMILES | C[C@]12[C@]([C@]3([C@](CC2)(C2=C(CC3)C=C(C=C2C)O)[H])[H])(CC[C@@]1(O)[H])[H] |