| SpectraBase Spectrum ID |
11lsPj8IDKg |
| Name |
(1S,3aS,4R,5S,7aS)-1-acetoxy-5-(2-carboxy-4-methoxy-phenyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O7 |
| InChI |
InChI=1S/C21H26O7/c1-11(22)28-17-7-6-16-18(20(25)26)14(8-9-21(16,17)2)13-5-4-12(27-3)10-15(13)19(23)24/h4-5,10,14,16-18H,6-9H2,1-3H3,(H,23,24)(H,25,26)/t14-,16+,17+,18?,21+/m1/s1 |
| InChIKey |
ZHMAATNYYGVAPJ-PCGDAAFESA-N |
| Molecular Weight |
390.432 g/mol |
| SMILES |
OC(C1[C@@](c2c(C(=O)O)cc(cc2)OC)(CC[C@]2([C@]1(CC[C@@]2(OC(=O)C)[H])[H])C)[H])=O |
| SPLASH |
splash10-0006-9335000000-65c3b9f27b71eaf5ef82 |
| Source of Spectrum |
H1-38-162-4 |
| Synonyms |
(1S,3aS,4R,5S,7aS)-1-acetyloxy-5-(2-carboxy-4-methoxy-phenyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid |
| Wiley ID |
756078 |
