| CAS Number | 81444-57-7 |
| Catalog Number | AG008MCK(AGN-PC-0UJEPC) |
| Chemical Name | 5,6-Epoxy-13-cis retinoic acid |
| IUPAC Name | 3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenoic acid |
| InChI | InChI=1S/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22) |
| InChI Key | KEEHJLBAOLGBJZ-UHFFFAOYSA-N |
| MDL Number | MFCD28899119 |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.4345 |
| SMILES | CC1(C)C(/C=C/C(C)=C/C=C/C(C)=CC(O)=O)(O2)C2(C)CCC1 |
| Synonyms | 5,6-Epoxy-13-cis Retinoic Acid,
81444-57-7,
all-trans 5,6-Epoxy Retinoic Acid,
CTK8F6583,
CTK8G7888,
AKOS030254711,
FT-0667933,
FT-0667935,
13100-69-1,
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| Complexity | 606 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.204g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.441g/mol |
| Monoisotopic Mass | 316.204g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 4 |
| XLogP3 | 5 |
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Certificate of Analysis
Lot Number