| SpectraBase Spectrum ID |
EWU9TAUkEVV |
| Name |
N-[(3.alpha.)-23-(1,3-Dimethyl-1,2,5,6-tetrahydropyridin-4-yl)-24-n o r -5 .alpha., 2 2 E -c h o l a -7, 2 2 -d i e n -3 -y l] -N -m e t h y l -2 -nitrobenzenesulfonamide |
| Alternate Name(s) |
N-[(3.alpha.)-23-(1,3-Dimethyl-1,2,5,6-tetrahydropyridin-4-yl)-24-nor-5.alpha.,22E-chola-7,22-dien-3-yl]-N-methyl-2-nitrobenzenesulfonamide
N-((3R,5R,9R,10S,13R,14R,17R)-17-((R,E)-4-(1,5-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)but-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C37H53N3O4S |
| InChI |
InChI=1S/C37H53N3O4S/c1-25(11-12-27-19-22-38(5)24-26(27)2)31-15-16-32-30-14-13-28-23-29(17-20-36(28,3)33(30)18-21-37(31,32)4)39(6)45(43,44)35-10-8-7-9-34(35)40(41)42/h7-12,14,25,28-29,31-33H,13,15-24H2,1-6H3/b12-11+/t25-,28-,29-,31-,32+,33+,36+,37-/m1/s1 |
| InChIKey |
KLMMCOINCHPIJZ-FKBKEXEQSA-N |
| Molecular Weight |
635.908 g/mol |
| SMILES |
c1(S(N([C@]2(C[C@@]3([C@]([C@]4(CC[C@]5([C@](C4=CC3)(CC[C@@]5([C@@](\C=C\C3=C(CN(C)CC3)C)(C)[H])[H])[H])C)[H])(C)CC2)[H])[H])C)(=O)=O)c(N(=O)=O)cccc1 |
| SPLASH |
splash10-01p9-9800600000-5fd0a2c9e96375467e48 |
| Source of Spectrum |
F-70-1089-16 |
| Wiley ID |
1742427 |
![N-[(3.alpha.)-23-(1,3-Dimethyl-1,2,5,6-tetrahydropyridin-4-yl)-24-n o r -5 .alpha., 2 2 E -c h o l a -7, 2 2 -d i e n -3 -y l] -N -m e t h y l -2 -nitrobenzenesulfonamide](/api/spectrum/EWU9TAUkEVV/structure.png?h=300&w=458 "N-[(3.alpha.)-23-(1,3-Dimethyl-1,2,5,6-tetrahydropyridin-4-yl)-24-n o r -5 .alpha., 2 2 E -c h o l a -7, 2 2 -d i e n -3 -y l] -N -m e t h y l -2 -nitrobenzenesulfonamide")
