| SpectraBase Spectrum ID |
LwCI7XRrLiy |
| Name |
(8R,9S,10S,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[A]phenanthrene-17-carboxylic acid phenylacetyl-amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.282429433 u |
| Formula |
C28H37NO2 |
| InChI |
InChI=1S/C28H37NO2/c1-27-16-7-6-10-20(27)11-12-21-22-13-14-24(28(22,2)17-15-23(21)27)26(31)29-25(30)18-19-8-4-3-5-9-19/h3-5,8-9,14,20-23H,6-7,10-13,15-18H2,1-2H3,(H,29,30,31)/t20?,21-,22-,23-,27-,28-/m0/s1 |
| InChIKey |
DVMXKALUNDTOJN-FGXYUZRQSA-N |
| Molecular Weight |
419.609 g/mol |
| SMILES |
[C@]12(C(C(NC(=O)CC=3C=CC=CC3)=O)=CC[C@]1([C@@]1(CCC3[C@]([C@]1(CC2)[H])(C)CCCC3)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941526 |
![(8R,9S,10S,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid phenylacetyl-amide](/api/spectrum/LwCI7XRrLiy/structure.png?h=300&w=458 "(8R,9S,10S,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid phenylacetyl-amide")
