![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-acetyl](/api/spectrum/6aPCk6SUTbJ/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-acetyl")
| SpectraBase Compound ID | J9leNVO3oSG |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h12,15-18H,4-11H2,1-3H3 |
| InChIKey | OJXGRUAWXGFZAO-UHFFFAOYSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6aPCk6SUTbJ |
|---|---|
| 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-acetyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.219494823 u |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h12,15-18H,4-11H2,1-3H3 |
| InChIKey | OJXGRUAWXGFZAO-UHFFFAOYSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | C1CC(C=C2C1(C)C1C(CC2)C2CCC(C2(CC1)C)=O)OC(=O)C |