| SpectraBase Spectrum ID |
AwLW5mX8dMH |
| Name |
17.beta.-Hydroxy-3-methoxy-6-oxaestra-1,3,5(10)-trien-7-one |
| Alternate Name(s) |
(1S,3aS,3bS,9bS,11aS)-1-hydroxy-7-methoxy-11a-methyl-2,3,3a,3b,9b,10,11,11a-octahydroindeno[4,5-c]chromen-4(1H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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-QXSSDPEGSA-N |
| Molecular Weight |
302.370 g/mol |
| SMILES |
O[C@]1(CC[C@]2([C@@]3(C(Oc4cc(ccc4[C@]3(CC[C@]12C)[H])OC)=O)[H])[H])[H] |
| SPLASH |
splash10-0ufr-3912000000-5bcca8180fa1f67d5b63 |
| Source of Spectrum |
B-51-1011-10 |
| Wiley ID |
745935 |
