| SpectraBase Spectrum ID |
HzjHdsz1usv |
| Name |
Estra-1,3,5(10)-trien-17-one, 3-methoxy-14-methyl-, (14.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.193280075 u |
| Formula |
C20H26O2 |
| InChI |
InChI=1S/C20H26O2/c1-19-11-9-18(21)20(19,2)10-8-16-15-6-5-14(22-3)12-13(15)4-7-17(16)19/h5-6,12,16-17H,4,7-11H2,1-3H3/t16-,17-,19-,20-/m1/s1 |
| InChIKey |
AVYRZBQKVGPYDK-HNBVOPMISA-N |
| SMILES |
[C@@]12([C@@](C(=O)CC2)(CC[C@]2([C@]1(CCC=1C=C(OC)C=CC21)[H])[H])C)C |
