| SpectraBase Spectrum ID |
4fUiy1kMZdp |
| Name |
12-[3-(Dicyclohexylamino)-2-hydroxypropoxy] abieta-8,11,13-trien-7-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
537.418194632 u |
| Formula |
C35H55NO3 |
| InChI |
InChI=1S/C35H55NO3/c1-24(2)28-19-29-30(35(5)18-12-17-34(3,4)33(35)21-31(29)38)20-32(28)39-23-27(37)22-36(25-13-8-6-9-14-25)26-15-10-7-11-16-26/h19-20,24-27,33,37H,6-18,21-23H2,1-5H3/t27?,33-,35+/m0/s1 |
| InChIKey |
SKRADZNMFMJMSW-FXJDFBSNSA-N |
| Molecular Weight |
537.829 g/mol |
| SMILES |
C1=2[C@@]3([C@@](CC(C2C=C(C(=C1)OCC(CN(C1CCCCC1)C1CCCCC1)O)C(C)C)=O)(C(CCC3)(C)C)[H])C |
![12-[3-(Dicyclohexylamino)-2-hydroxypropoxy] abieta-8,11,13-trien-7-one](/api/spectrum/4fUiy1kMZdp/structure.png?h=300&w=458 "12-[3-(Dicyclohexylamino)-2-hydroxypropoxy] abieta-8,11,13-trien-7-one")
