| SpectraBase Spectrum ID |
CUU0pSkmSJj |
| Name |
N-Propyl-2-nitro-2,3-seco-5.alpha.-cholestan-3-oic acid - amide |
| Alternate Name(s) |
2-[(3aR,6S,7S)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-6-(2-nitroethyl)dodecahydro-1H-cyclopenta[a]naphthalen-7-yl]-N-propylacetamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H54N2O3 |
| InChI |
InChI=1S/C30H54N2O3/c1-7-18-31-28(33)20-23-11-12-24-26-14-13-25(22(4)10-8-9-21(2)3)30(26,6)16-15-27(24)29(23,5)17-19-32(34)35/h21-27H,7-20H2,1-6H3,(H,31,33)/t22-,23+,24?,25?,26?,27?,29+,30-/m1/s1 |
| InChIKey |
KQESMUMZCRFZNV-LYVCIHDMSA-N |
| Molecular Weight |
490.773 g/mol |
| SMILES |
N(C(C[C@]1([C@@](C2CC[C@]3(C(C2CC1)CCC3[C@@](CCCC(C)C)(C)[H])C)(CCN(=O)=O)C)[H])=O)CCC |
| SPLASH |
splash10-0002-0900000000-5c462e61b52813b084b3 |
| Source of Spectrum |
G-63-1594-7 |
| Wiley ID |
749326 |
