![3-Hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[A]phenanthren-17-one, o-methyl](/api/spectrum/Gncl4ye6NJW/structure.png?h=300&w=458 "3-Hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[A]phenanthren-17-one, o-methyl")
| SpectraBase Compound ID | LueEUgYct0y |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h12,14-17H,4-11H2,1-3H3 |
| InChIKey | PQXATWLMZDZMQY-UHFFFAOYSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gncl4ye6NJW |
|---|---|
| Name | 3-Hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[A]phenanthren-17-one, o-methyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h12,14-17H,4-11H2,1-3H3 |
| InChIKey | PQXATWLMZDZMQY-UHFFFAOYSA-N |
| SMILES | C1CC(C=C2C1(C)C1C(CC2)C2CCC(C2(CC1)C)=O)OC |