| SpectraBase Spectrum ID |
GVKked9NA1Y |
| Name |
rac-3-methoxy-9(11)-seco-14-isoestra-1,3,5(10),6,8-pentaen-11,17.beta.-dioic acid |
| Alternate Name(s) |
(1S,3R)-2-(carboxymethyl)-3-(6-methoxy-2-naphthyl)-2-methylcyclopentanecarboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22O5 |
| InChI |
InChI=1S/C20H22O5/c1-20(11-18(21)22)16(7-8-17(20)19(23)24)14-4-3-13-10-15(25-2)6-5-12(13)9-14/h3-6,9-10,16-17H,7-8,11H2,1-2H3,(H,21,22)(H,23,24)/t16-,17+,20?/m0/s1 |
| InChIKey |
DQXRKNDIEDCVQO-QJNHQHDKSA-N |
| Molecular Weight |
342.391 g/mol |
| SMILES |
OC([C@]1(CC[C@](C1(CC(=O)O)C)(c1cc2ccc(cc2cc1)OC)[H])[H])=O |
| SPLASH |
splash10-0007-0938000000-bc181a13740af75079f2 |
| Source of Spectrum |
F-32-84-2 |
| Wiley ID |
1336633 |
