(6R,7S,8S,9S)-9-(1,3-dioxo-2-azaindan-2-yl)-7,8-bis[(methoxymethyl)oxy]tridec-1-en-6-ol

SpectraBase Compound ID	aqF8hKFRKK
InChI	InChI=1S/C25H37NO7/c1-5-7-9-15-21(27)23(33-17-31-4)22(32-16-30-3)20(14-8-6-2)26-24(28)18-12-10-11-13-19(18)25(26)29/h5,10-13,20-23,27H,1,6-9,14-17H2,2-4H3/t20-,21+,22-,23-/m0/s1
InChIKey	CMLYWWZPMHDJDY-BJESRGMDSA-N Google Search
Mol Weight	463.6 g/mol
Molecular Formula	C25H37NO7
Exact Mass	463.257003 g/mol

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SpectraBase Spectrum ID	zK4ft2MOAE
Name	(6R,7S,8S,9S)-9-(1,3-dioxo-2-azaindan-2-yl)-7,8-bis[(methoxymethyl)oxy]tridec-1-en-6-ol
Alternate Name(s)	2-[(1S,2S,3S,4R)-1-butyl-4-hydroxy-2,3-bis(methoxymethoxy)-8-nonenyl]-1H-isoindole-1,3(2H)-dione
CAS Registry Number	118014-64-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H37NO7
InChI	InChI=1S/C25H37NO7/c1-5-7-9-15-21(27)23(33-17-31-4)22(32-16-30-3)20(14-8-6-2)26-24(28)18-12-10-11-13-19(18)25(26)29/h5,10-13,20-23,27H,1,6-9,14-17H2,2-4H3/t20-,21+,22-,23-/m0/s1
InChIKey	CMLYWWZPMHDJDY-BJESRGMDSA-N
Molecular Weight	463.571 g/mol
SMILES	O[C@@]([C@@]([C@]([C@@](N1C(c2ccccc2C1=O)=O)(CCCC)[H])(OCOC)[H])(OCOC)[H])(CCCC=C)[H]
SPLASH	splash10-03xs-0490000000-6144e01bfa07d7592c15
Source of Spectrum	C-111-1404-32
Wiley ID	1391313