| SpectraBase Compound ID | JJvejeAzfyj |
|---|---|
| InChI | InChI=1S/C33H48O2/c1-22(2)10-9-11-23(3)30-16-17-31-28-15-14-26(34)21-29(25-12-7-6-8-13-25)32(35)20-24(4)27(28)18-19-33(30,31)5/h6-8,12-13,22-23,27-31H,4,9-11,14-21H2,1-3,5H3/t23-,27?,28-,29?,30-,31+,33-/m1/s1 |
| InChIKey | IMCIDABNJHKDJG-KXPYZXKISA-N |
| Mol Weight | 476.7 g/mol |
| Molecular Formula | C33H48O2 |
| Exact Mass | 476.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fbGIeNtJQK |
|---|---|
| Name | 3.beta.-Phenylcholestane-5,10-seco-10-methylene-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 476.365430784 u |
| Formula | C33H48O2 |
| InChI | InChI=1S/C33H48O2/c1-22(2)10-9-11-23(3)30-16-17-31-28-15-14-26(34)21-29(25-12-7-6-8-13-25)32(35)20-24(4)27(28)18-19-33(30,31)5/h6-8,12-13,22-23,27-31H,4,9-11,14-21H2,1-3,5H3/t23-,27?,28-,29?,30-,31+,33-/m1/s1 |
| InChIKey | IMCIDABNJHKDJG-KXPYZXKISA-N |
| Molecular Weight | 476.745 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC(CC(C(CC(C3CC2)=C)=O)C=2C=CC=CC2)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |