| SpectraBase Spectrum ID |
CjojAPYGvoo |
| Name |
rac-3-methoxy-9(11)-seco-14-isoestra-1,3,5(10),6,8-pentaen-11,17.beta.-dioic acid dimethyl ester |
| Alternate Name(s) |
Methyl (1S,2S,3S)-3-(6-methoxy-2-naphthyl)-2-(2-methoxy-2-oxoethyl)-2-methylcyclopentanecarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26O5 |
| InChI |
InChI=1S/C22H26O5/c1-22(13-20(23)26-3)18(9-10-19(22)21(24)27-4)16-6-5-15-12-17(25-2)8-7-14(15)11-16/h5-8,11-12,18-19H,9-10,13H2,1-4H3/t18-,19-,22+/m1/s1 |
| InChIKey |
ADUGLAIJCUNRHE-KNKQGSTJSA-N |
| Molecular Weight |
370.445 g/mol |
| SMILES |
[C@]1([C@@](c2cc3ccc(cc3cc2)OC)(CC[C@@]1(C(=O)OC)[H])[H])(CC(=O)OC)C |
| SPLASH |
splash10-00dj-0559000000-7d4f612b81751169553d |
| Source of Spectrum |
F-32-84-2 |
| Wiley ID |
1354451 |
