ECABET ,33159-27-2 _Chemical Cloud Database

ECABET

Basic Information
Product Name：	ECABET
CAS：	33159-27-2
English Synonyms：	ECABET ; (1R,4AS,10AR)-1,4A-DIMETHYL-7-PROPAN-2-YL-6-SULFO-2,3,4,9,10,10A-HEXAHYDROPHENANTHRENE-1-CARBOXYLIC ACID
MDL Number.：	MFCD11044526
H bond acceptor：	5
H bond donor：	2
Smile：	CC(C)c1cc2c(cc1S(=O)(=O)O)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)O)C
InChi：	InChI=1S/C20H28O5S/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25)/t17-,19-,20-/m1/s1
InChiKey：	InChIKey=IWCWQNVIUXZOMJ-MISYRCLQSA-N

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