| SpectraBase Spectrum ID |
18cdvMTHJxV |
| Name |
6-Oxaestra-1,3,5(10)-trien-7-one, 17-hydroxy-3-methoxy-, (8.alpha.,17.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.151809184 u |
| Formula |
C18H22O4 |
| InChI |
InChI=1S/C18H22O4/c1-18-8-7-12-11-4-3-10(21-2)9-14(11)22-17(20)16(12)13(18)5-6-15(18)19/h3-4,9,12-13,15-16,19H,5-8H2,1-2H3/t12-,13+,15+,16+,18+/m1/s1 |
| InChIKey |
PKZYZMZIUSWEDS-NWCAJXEZSA-N |
| SMILES |
C1([C@@]2([C@]3([C@]([C@@](O)(CC3)[H])(C)CC[C@]2([H])C2=C(O1)C=C(C=C2)OC)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886096 |
