| SpectraBase Spectrum ID |
HP3yYXZSbYG |
| Name |
(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-3-(2-Imidazolin-2-yl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthrene-3,7-diol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.340278663 u |
| Formula |
C26H44N2O2 |
| InChI |
InChI=1S/C26H44N2O2/c1-16(4-7-23-27-12-13-28-23)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(29)14-17(25)15-22(24)30/h16-22,24,29-30H,4-15H2,1-3H3,(H,27,28)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1 |
| InChIKey |
DAXBTXDFKFXYMB-BJLOMENOSA-N |
| Molecular Weight |
416.650 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3([C@@](C[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](O)(C4)[H])C)[H])(O)[H])[H])(CC[C@@]1([C@@](CCC1=NCCN1)(C)[H])[H])[H])C |
![(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-3-(2-imidazolin-2-yl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol](/api/spectrum/HP3yYXZSbYG/structure.png?h=300&w=458 "(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-3-(2-imidazolin-2-yl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol")
