(2S,4E,6R,8S)-8-Hydroxy-2,4,6-trimethyl-4-nonenoic Acid Ethyl Ester - CAS 943858-34-2

Catalog:	BB056290
Product Name:	(2S,4E,6R,8S)-8-Hydroxy-2,4,6-trimethyl-4-nonenoic Acid Ethyl Ester
CAS:	943858-34-2
Synonyms:	Ethyl (2S,6R,8S,E)-8-hydroxy-2,4,6-trimethylnon-4-enoate; ethyl (E,2S,6R,8S)-8-hydroxy-2,4,6-trimethylnon-4-enoate; (2S,4E,6R,8S)-8-Hydroxy-2,4,6-trimethyl-4-nonenoic Acid Ethyl Ester; (2S,4E,6R,8S)-2,4,6-Trimethyl-8-hydroxy-4-nonenoic acid ethyl ester

Technical Data

IUPAC Name:	ethyl (E,2S,6R,8S)-8-hydroxy-2,4,6-trimethylnon-4-enoate
Description:	(2S,4E,6R,8S)-8-Hydroxy-2,4,6-trimethyl-4-nonenoic Acid Ethyl Ester is an intermediate in the synthesis of substituent used in the preparation of Jasplakinolide (J210700), an potent inhibitor of prostrate and breast carcinoma cell proliferation.
Molecular Weight:	242.35
Molecular Formula:	C14H26O3
Canonical SMILES:	CCOC(=O)C(C)CC(=CC(C)CC(C)O)C
InChI:	InChI=1S/C14H26O3/c1-6-17-14(16)12(4)8-10(2)7-11(3)9-13(5)15/h7,11-13,15H,6,8-9H2,1-5H3/b10-7+/t11-,12-,13-/m0/s1
InChI Key:	ZHCKMPFULIYWCN-UINPNPHTSA-N
References:	Ghosh, A. K., et al. Org. Lett., 9, 2425 (2007).

Complexity:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	1
Exact Mass:	242.18819469
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.18819469
Rotatable Bond Count:	8
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3