| SpectraBase Spectrum ID |
I1vv8hTgISU |
| Name |
(8R,9S,13S,14S)-2-Amino-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[A]phenanthren-17-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.188529047 u |
| Formula |
C19H25NO2 |
| InChI |
InChI=1S/C19H25NO2/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15H,3-8,20H2,1-2H3/t12-,13+,15-,19-/m0/s1 |
| InChIKey |
PTJFKRAFCDTWSW-QPWUGHHJSA-N |
| SMILES |
[C@@]12([C@]([C@@]3(CCC4=C([C@]3(CC2)[H])C=C(C(OC)=C4)N)[H])(CCC1=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848518 |
![(8R,9S,13S,14S)-2-amino-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one](/api/spectrum/I1vv8hTgISU/structure.png?h=300&w=458 "(8R,9S,13S,14S)-2-amino-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one")
