![Cyclopenta[A]phenanthren, 6,7,8,9,10,11-hexahydro-17-methyl-17-ethyl-3-methoxy-](/api/spectrum/I4eBKIQqqFk/structure.png?h=300&w=458 "Cyclopenta[A]phenanthren, 6,7,8,9,10,11-hexahydro-17-methyl-17-ethyl-3-methoxy-")
| SpectraBase Compound ID | 35dA0Ik2hcB |
|---|---|
| InChI | InChI=1S/C21H28O/c1-4-21(2)12-11-19-18-7-5-14-13-15(22-3)6-8-16(14)17(18)9-10-20(19)21/h6,8,13,17-18H,4-5,7,9-12H2,1-3H3 |
| InChIKey | GJHJUJRHPZQNPC-UHFFFAOYSA-N |
| Mol Weight | 296.45 g/mol |
| Molecular Formula | C21H28O |
| Exact Mass | 296.214016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I4eBKIQqqFk |
|---|---|
| Name | Cyclopenta[A]phenanthren, 6,7,8,9,10,11-hexahydro-17-methyl-17-ethyl-3-methoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.214015521 u |
| Formula | C21H28O |
| InChI | InChI=1S/C21H28O/c1-4-21(2)12-11-19-18-7-5-14-13-15(22-3)6-8-16(14)17(18)9-10-20(19)21/h6,8,13,17-18H,4-5,7,9-12H2,1-3H3 |
| InChIKey | GJHJUJRHPZQNPC-UHFFFAOYSA-N |
| SMILES | C12=CC=C(C=C2CCC2C1CCC1=C2CCC1(C)CC)OC |