(3R,4S,5R)-4-hydroxy-3-pentan-3-yloxy-5-[(phenylmethyl)amino]-1-cyclohexenecarboxylic acid ethyl ester

SpectraBase Compound ID	Fl8k22hBPCA
InChI	InChI=1S/C21H31NO4/c1-4-17(5-2)26-19-13-16(21(24)25-6-3)12-18(20(19)23)22-14-15-10-8-7-9-11-15/h7-11,13,17-20,22-23H,4-6,12,14H2,1-3H3/t18-,19-,20+/m1/s1
InChIKey	MZTXMZRYPLRCSW-AQNXPRMDSA-N Google Search
Mol Weight	361.48 g/mol
Molecular Formula	C21H31NO4
Exact Mass	361.225308 g/mol

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SpectraBase Spectrum ID	Jc4Kk9xDaUY
Name	(3R,4S,5R)-4-hydroxy-3-pentan-3-yloxy-5-[(phenylmethyl)amino]-1-cyclohexenecarboxylic acid ethyl ester
Alternate Name(s)	(3R,4S,5R)-5-(benzylamino)-3-(1-ethylpropoxy)-4-hydroxy-cyclohexene-1-carboxylic acid ethyl ester Ethyl (3R,4S,5R)-4-oxidanyl-3-pentan-3-yloxy-5-[(phenylmethyl)amino]cyclohexene-1-carboxylate Ethyl (3R,4S,5R)-5-(benzylamino)-3-(1-ethylpropoxy)-4-hydroxy-cyclohexene-1-carboxylate Ethyl (3R,4S,5R)-5-(benzylamino)-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H31NO4
InChI	InChI=1S/C21H31NO4/c1-4-17(5-2)26-19-13-16(21(24)25-6-3)12-18(20(19)23)22-14-15-10-8-7-9-11-15/h7-11,13,17-20,22-23H,4-6,12,14H2,1-3H3/t18-,19-,20+/m1/s1
InChIKey	MZTXMZRYPLRCSW-AQNXPRMDSA-N
Molecular Weight	361.482 g/mol
SMILES	N([C@]1([C@@]([C@@](C=C(C1)C(=O)OCC)(OC(CC)CC)[H])(O)[H])[H])Cc1ccccc1
SPLASH	splash10-0006-9852000000-87c24bdd1cc967b219a3
Source of Spectrum	J-66-2048-12
Wiley ID	1534846