![Androstan-17.beta.ol, 4-[1-naphthyl]-, 4-benzoylbenzoate](/api/spectrum/3jFthZcgeaX/structure.png?h=300&w=458 "Androstan-17.beta.ol, 4-[1-naphthyl]-, 4-benzoylbenzoate")
| SpectraBase Compound ID | 1Pp1nTE64O1 |
|---|---|
| InChI | InChI=1S/C43H46O3/c1-42-26-9-16-34(33-15-8-13-28-10-6-7-14-32(28)33)36(42)22-21-35-37-23-24-39(43(37,2)27-25-38(35)42)46-41(45)31-19-17-30(18-20-31)40(44)29-11-4-3-5-12-29/h3-8,10-15,17-20,34-39H,9,16,21-27H2,1-2H3/t34?,35-,36?,37-,38-,39-,42-,43-/m0/s1 |
| InChIKey | TZDFHOJXYIERNC-PBSCXPQUSA-N |
| Mol Weight | 610.8 g/mol |
| Molecular Formula | C43H46O3 |
| Exact Mass | 610.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jFthZcgeaX |
|---|---|
| Name | Androstan-17.beta.ol, 4-[1-naphthyl]-, 4-benzoylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 610.344695338 u |
| Formula | C43H46O3 |
| InChI | InChI=1S/C43H46O3/c1-42-26-9-16-34(33-15-8-13-28-10-6-7-14-32(28)33)36(42)22-21-35-37-23-24-39(43(37,2)27-25-38(35)42)46-41(45)31-19-17-30(18-20-31)40(44)29-11-4-3-5-12-29/h3-8,10-15,17-20,34-39H,9,16,21-27H2,1-2H3/t34?,35-,36?,37-,38-,39-,42-,43-/m0/s1 |
| InChIKey | TZDFHOJXYIERNC-PBSCXPQUSA-N |
| Molecular Weight | 610.838 g/mol |
| SMILES | C1CC[C@]2(C(C1C=1C=3C=CC=CC3C=CC1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(OC(=O)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1)[H])[H])C)[H])[H])C |