8-[(S)-Hydroxy[4-benzyloxyphenyl]methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic Acid Ethyl Ester - CAS 182227-19-6

Name: 8-[(S)-Hydroxy[4-benzyloxyphenyl]methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic Acid Ethyl Ester
Brand: BOC Sciences
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Catalog:	BB056214
Product Name:	8-[(S)-Hydroxy[4-benzyloxyphenyl]methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic Acid Ethyl Ester
CAS:	182227-19-6
Synonyms:	8-[(S)-Hydroxy[4-(phenylmethoxy)phenyl]methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic Acid Ethyl Ester

Technical Data

Computed Properties

IUPAC Name:	ethyl 8-[(S)-hydroxy-(4-phenylmethoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate
Description:	Intermediate in the synthesis of a cholesterol absorption inhibitor.
Molecular Weight:	426.5
Molecular Formula:	C25H30O6
Canonical SMILES:	CCOC(=O)C1(CCC2(CC1)OCCO2)C(C3=CC=C(C=C3)OCC4=CC=CC=C4)O
InChI:	InChI=1S/C25H30O6/c1-2-28-23(27)24(12-14-25(15-13-24)30-16-17-31-25)22(26)20-8-10-21(11-9-20)29-18-19-6-4-3-5-7-19/h3-11,22,26H,2,12-18H2,1H3/t22-/m0/s1
InChI Key:	LHQREPLLEPMRRW-QFIPXVFZSA-N
Solubility:	Dichloromethane, Ethyl Acetate
References:	Wu, G. & Tormos, W.; J. Org. Chem. 62, 6412 (1997).

Complexity:	563
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	426.20423867
Formal Charge:	0
Heavy Atom Count:	31
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	426.20423867
Rotatable Bond Count:	8
Topological Polar Surface Area:	74.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2

8-[(S)-Hydroxy[4-benzyloxyphenyl]methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic Acid Ethyl Ester - CAS 182227-19-6

Technical Data

Computed Properties

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