| SpectraBase Spectrum ID |
3uhn1W2s7bd |
| Name |
(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(E)-4-(dimethylamino)butoxyiminomethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol |
| Alternate Name(s) |
(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(E)-4-(dimethylamino)butyloximinomethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol |
| Comments |
Removed - expert review: contamination (acetone)) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H46N2O3 |
| InChI |
InChI=1S/C26H46N2O3/c1-24-12-10-21(29)17-19(24)7-8-23-22(24)11-13-25(2)20(9-14-26(23,25)30)18-27-31-16-6-5-15-28(3)4/h18-23,29-30H,5-17H2,1-4H3/b27-18+/t19-,20-,21+,22+,23-,24+,25-,26+/m1/s1 |
| InChIKey |
FXNUMPOTJQRZOK-GNDIRSMTSA-N |
| Molecular Weight |
434.665 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@@]([C@@]3(CC[C@@]2(C1)[H])[H])(CC[C@@]4(\C=N\OCCCCN(C)C)[H])O)C)[H])C)[H] |
| SPLASH |
splash10-0a4i-9000000000-46a499f8506bd72c0a21 |
| Source of Spectrum |
F2-43-2342-6 |
| Wiley ID |
1600747 |
![(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(E)-4-(dimethylamino)butoxyiminomethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol](/api/spectrum/3uhn1W2s7bd/structure.png?h=300&w=458 "(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(E)-4-(dimethylamino)butoxyiminomethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol")
