(2E,4S)-4-(Acetyloxy)-5-[3,4-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-2-pentenoic Acid - CAS 1235828-19-9
Catalog: |
BB075549 |
Product Name: |
(2E,4S)-4-(Acetyloxy)-5-[3,4-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-2-pentenoic Acid |
CAS: |
1235828-19-9 |
Synonyms: |
Ethyl (E,4S)-4-acetyloxy-5-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]pent-2-enoate; (2E,4S)-4-(Acetyloxy)-5-[3,4-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-2-pentenoic Acid |
IUPAC Name: | ethyl (E,4S)-4-acetyloxy-5-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]pent-2-enoate |
Description: | (2E,4S)-4-(Acetyloxy)-5-[3,4-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-2-pentenoic Acid is an intermediate in the synthesis of metabolite of (-)-Epicatechin (E582260). |
Molecular Weight: | 522.82 |
Molecular Formula: | C27H46O6Si2 |
Canonical SMILES: | CCOC(=O)C=CC(CC1=CC(=C(C=C1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)C |
InChI: | InChI=1S/C27H46O6Si2/c1-13-30-25(29)17-15-22(31-20(2)28)18-21-14-16-23(32-34(9,10)26(3,4)5)24(19-21)33-35(11,12)27(6,7)8/h14-17,19,22H,13,18H2,1-12H3/b17-15+/t22-/m1/s1 |
InChI Key: | JYMJLNLYYZEXRC-XEPMYJLFSA-N |
Solubility: | DCM |
Appearance: | Brown Oil |
Complexity: | 733 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 522.28329225 |
Formal Charge: | 0 |
Heavy Atom Count: | 35 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 522.28329225 |
Rotatable Bond Count: | 14 |
Topological Polar Surface Area: | 71.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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