| SpectraBase Spectrum ID |
DqDns1sfEs6 |
| Name |
(E,E,E)-17.beta.-[5-(2-N,N-Dimethylaminoethoxy)imino-2,4-pentadien-1-yl]-5.beta.-androstane-3.beta.,14.beta.-diol oxalate |
| Alternate Name(s) |
(1S,2S,5S,7R,10R,11S,14R,15R)-14-[(2E)-5-{[2-(dimethylamino)ethoxy]imino}penta-2,4-dien-1-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-5,11-diol |
| Comments |
Removed - expert review: contamination (acetone)) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46N2O3 |
| InChI |
InChI=1S/C28H46N2O3/c1-26-14-12-23(31)20-22(26)9-10-25-24(26)13-15-27(2)21(11-16-28(25,27)32)8-6-5-7-17-29-33-19-18-30(3)4/h5-7,21-25,31-32H,8-16,18-20H2,1-4H3/b6-5+/t21-,22+,23-,24-,25+,26-,27+,28-/m0/s1 |
| InChIKey |
PTAIIPKHZARNJM-KIUHHTFGSA-N |
| Molecular Weight |
458.687 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\C=C\C=C=NOCCN(C)C)[H])O)C)[H])C)[H] |
| SPLASH |
splash10-0a4i-9000000000-e51a77f92c5e94377ef5 |
| Source of Spectrum |
F2-43-2344-27 |
| Wiley ID |
1600727 |
![(E,E,E)-17.beta.-[5-(2-N,N-Dimethylaminoethoxy)imino-2,4-pentadien-1-yl]-5.beta.-androstane-3.beta.,14.beta.-diol oxalate](/api/spectrum/DqDns1sfEs6/structure.png?h=300&w=458 "(E,E,E)-17.beta.-[5-(2-N,N-Dimethylaminoethoxy)imino-2,4-pentadien-1-yl]-5.beta.-androstane-3.beta.,14.beta.-diol oxalate")
