| SpectraBase Spectrum ID |
FP8ZpTBAKT4 |
| Name |
rac-(8.alpha.,9.alpha.,13.alpha.,14.alpha.,17.beta.)-3-Methoxyestra-1(10),2,4,6-tetraene-14,17-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.172544630 u |
| Formula |
C19H24O3 |
| InChI |
InChI=1S/C19H24O3/c1-18-9-7-15-14-5-4-13(22-2)11-12(14)3-6-16(15)19(18,21)10-8-17(18)20/h3-6,11,15-17,20-21H,7-10H2,1-2H3/t15-,16+,17+,18+,19-/m1/s1 |
| InChIKey |
MTHGAUZBQUWFCS-HVMFNXBNSA-N |
| SMILES |
[C@@]12([C@@](CC[C@]3([C@@]2(C=CC2=CC(OC)=CC=C32)[H])[H])([C@@](O)(CC1)[H])C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87987 |
