(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

Technical Data

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:	65Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9