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ANNONACINONE
SpectraBase Compound ID 4SwQZDC8ydc
InChI InChI=1S/C35H62O7/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(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3
InChIKey WVAPCAKZINGVII-UHFFFAOYSA-N
Mol Weight 594.9 g/mol
Molecular Formula C35H62O7
Exact Mass 594.449554 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bb6Q3WYdBgr
Name Annonacin-10-one
Alternate Name(s) 4-[2,13-dihydroxy-13-[5-(1-hydroxytridecyl)-2-oxolanyl]-8-oxotridecyl]-2-methyl-2H-furan-5-one 4-[2,13-dihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one 4-[2,13-dihydroxy-13-[5-(1-hydroxytridecyl)tetrahydrofuran-2-yl]-8-oxo-tridecyl]-2-methyl-2H-furan-5-one 4-[2,13-bis(oxidanyl)-8-oxidanylidene-13-[5-(1-oxidanyltridecyl)oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
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Formula C35H62O7
InChI InChI=1S/C35H62O7/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(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3
InChIKey WVAPCAKZINGVII-UHFFFAOYSA-N
Molecular Weight 594.874 g/mol
SMILES OC(CCCCCC(CCCCC(C1OC(C(O)CCCCCCCCCCCC)CC1)O)=O)CC=1C(OC(C1)C)=O
SPLASH splash10-0adr-0289000000-1958c8468c5624c1264e
Source of Spectrum X2-53-253-25
Wiley ID 1603373