(2R,3R,5S)-3,5-Dimethyl-1-benzyloxy-2-hydroxy-8-(4-methoxyphenoxy)-4-octanone - CAS 276690-15-4

Catalog:	BB067313
Product Name:	(2R,3R,5S)-3,5-Dimethyl-1-benzyloxy-2-hydroxy-8-(4-methoxyphenoxy)-4-octanone
CAS:	276690-15-4
Synonyms:	(2R,3R,5S)-2-Hydroxy-8-(4-methoxyphenoxy)-3,5-dimethyl-1-(phenylmethoxy)-4-octanone

Technical Data

IUPAC Name:	(2R,3R,5S)-2-hydroxy-8-(4-methoxyphenoxy)-3,5-dimethyl-1-phenylmethoxyoctan-4-one
Description:	(2R,3R,5S)-3,5-Dimethyl-1-benzyloxy-2-hydroxy-8-(4-methoxyphenoxy)-4-octanone is an intermediate in the preparation of Stigmatellin A (S686780).
Molecular Weight:	400.51
Molecular Formula:	C24H32O5
Canonical SMILES:	CC(CCCOC1=CC=C(C=C1)OC)C(=O)C(C)C(COCC2=CC=CC=C2)O
InChI:	InChI=1S/C24H32O5/c1-18(8-7-15-29-22-13-11-21(27-3)12-14-22)24(26)19(2)23(25)17-28-16-20-9-5-4-6-10-20/h4-6,9-14,18-19,23,25H,7-8,15-17H2,1-3H3/t18-,19+,23-/m0/s1
InChI Key:	CPZDDXOHLXIANQ-YYDVJCTNSA-N
Solubility:	Dichloromethane, Ethyl Acetate
Appearance:	Colorless Oil
References:	Enders, D. et al. Chem. Eur. J., 6, 1302 (2000).

Complexity:	441
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	400.22497412
Formal Charge:	0
Heavy Atom Count:	29
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	400.22497412
Rotatable Bond Count:	13
Topological Polar Surface Area:	65Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4