| SpectraBase Spectrum ID |
FKuFv8KSMSC |
| Name |
6-Oxaestra-1,3,5(10)-trien-7-one, 17-hydroxy-3-methoxy-, (8.alpha.,17.beta.)-(.+-.)- |
| CAS Registry Number |
127728-71-6 |
| 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-NWCAJXEZSA-N |
| Molecular Weight |
302.370 g/mol |
| SMILES |
O[C@@]1([C@@]2([C@]([C@]3(C(Oc4c(ccc(c4)OC)[C@]3(CC2)[H])=O)[H])(CC1)[H])C)[H] |
| SPLASH |
splash10-0udi-0925000000-8c97658b6c5a33d03d6c |
| Source of Spectrum |
B-42-1778-12 |
| Synonyms |
Benz[b]indeno[5,4-d]pyran, 6-oxaestra-1,3,5(10)-trien-7-one deriv.
(+-)-17.beta.-hydroxy-3-methoxy-6-oxa-8.alpha.-estra-1,3,5(10)-trien-7-one
(1S,3aS,3bR,9bS,11aS)-1-hydroxy-7-methoxy-11a-methyl-2,3,3a,3b,9b,10,11,11a-octahydroindeno[4,5-c]chromen-4(1H)-one |
| Wiley ID |
1304832 |
