7-{3,5-DIHYDROXY-2-{2-[2-(PHENOXYMETHYL)-1,3-DIOXOLAN-2-YL]VINYL}CYCLOPENTYL}-5-HEPTENOIC ACID, COMPOUND WITH 2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL (1:1)

SpectraBase Compound ID	LWeQURkrRzi
InChI	InChI=1S/C24H32O7.C4H11NO3/c25-21-16-22(26)20(19(21)10-6-1-2-7-11-23(27)28)12-13-24(30-14-15-31-24)17-29-18-8-4-3-5-9-18;5-4(1-6,2-7)3-8/h1,3-6,8-9,12-13,19-22,25-26H,2,7,10-11,14-17H2,(H,27,28);6-8H,1-3,5H2/b6-1+,13-12+;/t19-,20-,21+,22-;/m1./s1
InChIKey	RRQXRDGMMDFCRO-BCBJJPJBSA-N Google Search
Mol Weight	553.6 g/mol
Molecular Formula	C28H43NO10
Exact Mass	553.288697 g/mol

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SpectraBase Spectrum ID	1mzu1zN8ZN7
Name	7-{3,5-DIHYDROXY-2-{2-[2-(PHENOXYMETHYL)-1,3-DIOXOLAN-2-YL]VINYL}CYCLOPENTYL}-5-HEPTENOIC ACID, COMPOUND WITH 2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL (1:1)
Source of Sample	W. Skuballa, Schering AG, Berlin, Germany
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H43NO10
InChI	InChI=1S/C24H32O7.C4H11NO3/c25-21-16-22(26)20(19(21)10-6-1-2-7-11-23(27)28)12-13-24(30-14-15-31-24)17-29-18-8-4-3-5-9-18;5-4(1-6,2-7)3-8/h1,3-6,8-9,12-13,19-22,25-26H,2,7,10-11,14-17H2,(H,27,28);6-8H,1-3,5H2/b6-1+,13-12+;/t19-,20-,21+,22-;/m1./s1
InChIKey	RRQXRDGMMDFCRO-BCBJJPJBSA-N
Literature Reference	J. MED. CHEM. 21, 443(1978) Abstract-Chemical Abstracts= 88, 146574(1978)
Melting Point	105-108C
Molecular Weight	553.648987
Synonyms	5-HEPTENOIC ACID, 7-/3,5-DIHYDROXY- 2-/2-/2-/PHENOXYMETHYL/-1,3-DIOXOLAN- 2-YL/VINYL/CYCLOPENTYL/-, CMPD WITH 2-AMINO-2-/HYDROXYMETHYL/-1,3-PROPANE- DIOL /1 TO 1/
Technique	FILM (CAST FROM CHCl3)