| SpectraBase Spectrum ID |
14LZfnNnPNT |
| Name |
17.beta.-Acetoxy-3-methoxy-6,7-secoestra-1,3,5(10)-triene-6,7-dioic acid 6-methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28O7 |
| InChI |
InChI=1S/C22H28O7/c1-12(23)29-18-8-7-17-19(20(24)25)15(9-10-22(17,18)2)14-6-5-13(27-3)11-16(14)21(26)28-4/h5-6,11,15,17-19H,7-10H2,1-4H3,(H,24,25)/t15?,17?,18-,19+,22-/m0/s1 |
| InChIKey |
YBYSKVUQCLFOBQ-JODRKRFISA-N |
| Molecular Weight |
404.459 g/mol |
| SMILES |
OC([C@@]1(C(c2c(C(=O)OC)cc(OC)cc2)CC[C@]2(C1CC[C@@]2(OC(=O)C)[H])C)[H])=O |
| SPLASH |
splash10-0006-9223100000-fd48639066b61d233fa2 |
| Source of Spectrum |
H1-38-163-8 |
| Wiley ID |
756075 |
