(4S,5S,6S,7R)-5,7-Dimethoxy-4,6-dimethyl-8-(phenylmethoxy)-octanoic Acid - CAS 276690-18-7
Catalog: |
BB067331 |
Product Name: |
(4S,5S,6S,7R)-5,7-Dimethoxy-4,6-dimethyl-8-(phenylmethoxy)-octanoic Acid |
CAS: |
276690-18-7 |
Synonyms: |
(4S,5S,6S,7R)-5,7-Dimethoxy-4,6-dimethyl-8-(phenylmethoxy)-octanoic Acid; (4S,5S,6S,7R)-5,7-dimethoxy-4,6-dimethyl-8-phenylmethoxyoctanoic acid; (4S,5S,6S,7R)-4,6-Dimethyl-5,7-dimethoxy-8-(benzyloxy)octanoic acid |
IUPAC Name: | (4S,5S,6S,7R)-5,7-dimethoxy-4,6-dimethyl-8-phenylmethoxyoctanoic acid |
Description: | (4S,5S,6S,7R)-5,7-Dimethoxy-4,6-dimethyl-8-(phenylmethoxy)-octanoic Acid is an intermediate in the preparation of Stigmatellin A (S686780). |
Molecular Weight: | 338.44 |
Molecular Formula: | C19H30O5 |
Canonical SMILES: | CC(CCC(=O)O)C(C(C)C(COCC1=CC=CC=C1)OC)OC |
InChI: | InChI=1S/C19H30O5/c1-14(10-11-18(20)21)19(23-4)15(2)17(22-3)13-24-12-16-8-6-5-7-9-16/h5-9,14-15,17,19H,10-13H2,1-4H3,(H,20,21)/t14-,15+,17-,19-/m0/s1 |
InChI Key: | TWUBPNWKSYGFRE-HIRMHNASSA-N |
Solubility: | Dichloromethane, Ethyl Acetate |
Appearance: | Colorless Oil |
References: | Enders, D. et al. Chem. Eur. J., 6, 1302 (2000). |
Complexity: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 338.20932405 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 338.20932405 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 65Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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