![5-oxo-3-(Acetylcarbonyl)-9-[1'-((3''-methyl-5''-hydroxypyridyn-2''-yl)ethyl]-9B,¹¹b-dimethyl-(perhydro)indano[4,5-H]naphthalene](/api/spectrum/KyGxWbrA8b9/structure.png?h=300&w=458 "5-oxo-3-(Acetylcarbonyl)-9-[1'-((3''-methyl-5''-hydroxypyridyn-2''-yl)ethyl]-9B,¹¹b-dimethyl-(perhydro)indano[4,5-H]naphthalene")
| SpectraBase Compound ID | 6JokKu99vu4 |
|---|---|
| InChI | InChI=1S/C29H41NO4/c1-16-12-26(33)27(30-15-16)17(2)21-6-7-22-20-14-25(32)24-13-19(34-18(3)31)8-10-29(24,5)23(20)9-11-28(21,22)4/h12,15,17,19-24,33H,6-11,13-14H2,1-5H3/t17?,19?,20-,21+,22-,23?,24+,28?,29?/m0/s1 |
| InChIKey | GANKTJHOGMIBAJ-SBJQLNMXSA-N |
| Mol Weight | 467.7 g/mol |
| Molecular Formula | C29H41NO4 |
| Exact Mass | 467.303559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KyGxWbrA8b9 |
|---|---|
| Name | 5-oxo-3-(Acetylcarbonyl)-9-[1'-((3''-methyl-5''-hydroxypyridyn-2''-yl)ethyl]-9B,¹¹b-dimethyl-(perhydro)indano[4,5-H]naphthalene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 467.303558800 u |
| Formula | C29H41NO4 |
| InChI | InChI=1S/C29H41NO4/c1-16-12-26(33)27(30-15-16)17(2)21-6-7-22-20-14-25(32)24-13-19(34-18(3)31)8-10-29(24,5)23(20)9-11-28(21,22)4/h12,15,17,19-24,33H,6-11,13-14H2,1-5H3/t17?,19?,20-,21+,22-,23?,24+,28?,29?/m0/s1 |
| InChIKey | GANKTJHOGMIBAJ-SBJQLNMXSA-N |
| Molecular Weight | 467.650 g/mol |
| SMILES | C12([C@]([C@@]3(CC(=O)[C@@]4(C(C3CC2)(CCC(OC(=O)C)C4)C)[H])[H])(CC[C@@]1(C(C=1N=CC(=CC1O)C)C)[H])[H])C |