| SpectraBase Spectrum ID |
DEE3tMhgqvt |
| Name |
Cholestan-3-ol, 6-(nitroamino)-, acetate (ester), (3.beta.,5.alpha.,6.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
490.377058094 u |
| Formula |
C29H50N2O4 |
| InChI |
InChI=1S/C29H50N2O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(30-31(33)34)26-16-21(35-20(4)32)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-27,30H,7-17H2,1-6H3/t19-,21+,22?,23-,24?,25?,26-,27-,28-,29-/m1/s1 |
| InChIKey |
FOCMVOBKSUGSLY-BQZUWBOWSA-N |
| Molecular Weight |
490.729 g/mol |
| SMILES |
[C@@]12(C3C(C4CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])C[C@]([C@]2(C[C@@](OC(=O)C)(CC1)[H])[H])(NN(=O)=O)[H])C |
