![(3' Z)-3'-(Acetoxyimino)spiro[ 5.alpha.-cholestane-3,1'-cycobutane]](/api/spectrum/JIilc5TKQTU/structure.png?h=300&w=458 "(3' Z)-3'-(Acetoxyimino)spiro[ 5.alpha.-cholestane-3,1'-cycobutane]")
| SpectraBase Compound ID | B4TR605ph5E |
|---|---|
| InChI | InChI=1S/C32H53NO2/c1-21(2)8-7-9-22(3)27-12-13-28-26-11-10-24-18-32(19-25(20-32)33-35-23(4)34)17-16-30(24,5)29(26)14-15-31(27,28)6/h21-22,24,26-29H,7-20H2,1-6H3/b33-25-/t22-,24?,26?,27-,28+,29?,30+,31-,32?/m1/s1 |
| InChIKey | HKAKDCJJPDFVAJ-LAVUGBFOSA-N |
| Mol Weight | 483.8 g/mol |
| Molecular Formula | C32H53NO2 |
| Exact Mass | 483.40763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JIilc5TKQTU |
|---|---|
| Name | (3' Z)-3'-(Acetoxyimino)spiro[ 5.alpha.-cholestane-3,1'-cycobutane] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 483.407629949 u |
| Formula | C32H53NO2 |
| InChI | InChI=1S/C32H53NO2/c1-21(2)8-7-9-22(3)27-12-13-28-26-11-10-24-18-32(19-25(20-32)33-35-23(4)34)17-16-30(24,5)29(26)14-15-31(27,28)6/h21-22,24,26-29H,7-20H2,1-6H3/b33-25-/t22-,24?,26?,27-,28+,29?,30+,31-,32?/m1/s1 |
| InChIKey | HKAKDCJJPDFVAJ-LAVUGBFOSA-N |
| Molecular Weight | 483.781 g/mol |
| SMILES | [C@@]12([C@](C3CCC4[C@@](C3CC2)(CCC2(CC(=NOC(=O)C)C2)C4)C)(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |