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Isoannonacin

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Isoannonacin
SpectraBase Compound ID LGYZJbLFwn7
InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3
InChIKey DGQPZGGOYKKJLX-UHFFFAOYSA-N
Mol Weight 596.9 g/mol
Molecular Formula C35H64O7
Exact Mass 596.465204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6ymtz6qmWF
Name Isoannonacin
Alternate Name(s) 5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)-2-oxolanyl]undecyl]-3-(2-oxopropyl)-2-oxolanone 5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one 5-[6,11-bis(oxidanyl)-11-[5-(1-oxidanyltridecyl)oxolan-2-yl]undecyl]-3-(2-oxidanylidenepropyl)oxolan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H64O7
InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3
InChIKey DGQPZGGOYKKJLX-UHFFFAOYSA-N
Molecular Weight 596.890 g/mol
SMILES OC(CCCCC(C1OC(C(O)CCCCCCCCCCCC)CC1)O)CCCCCC1OC(C(CC(=O)C)C1)=O
SPLASH splash10-0a4l-0149000000-7e570d4d537e24330ba9
Source of Spectrum X2-53-253-26
Wiley ID 1603438