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(6S,7S,8S,9S)-9-(1,3-dioxo-2-azaindan-2-yl)-7,8-bis[(methoxymethyl)oxy]tridec-1-en-6-ol
SpectraBase Compound ID 4G9A3q4syvu
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-MLCQCVOFSA-N
Mol Weight 463.6 g/mol
Molecular Formula C25H37NO7
Exact Mass 463.257003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3N0XFkANppy
Name (6S,7S,8S,9S)-9-(1,3-dioxo-2-azaindan-2-yl)-7,8-bis[(methoxymethyl)oxy]tridec-1-en-6-ol
CAS Registry Number 118014-63-4
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-MLCQCVOFSA-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 splash10-03xv-0390000000-f226acf8dff530ed1aee
Source of Spectrum C-111-1404-31
Synonyms 2-[(1S,2S,3S,4S)-1-butyl-4-hydroxy-2,3-bis(methoxymethoxy)-8-nonenyl]-1H-isoindole-1,3(2H)-dione
Wiley ID 1391312