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Desacetoxy-melcanthin F
SpectraBase Compound ID JK0liHUjEnu
InChI InChI=1S/C21H28O7/c1-5-12(2)19(23)27-17-10-15(21(25)26-4)8-6-7-14(11-22)9-16-18(17)13(3)20(24)28-16/h8-9,12,16-18,22H,3,5-7,10-11H2,1-2,4H3/b14-9+,15-8+/t12?,16-,17?,18+/m1/s1
InChIKey AQFGGOQLDNXCED-GAXUQSIRSA-N
Mol Weight 392.45 g/mol
Molecular Formula C21H28O7
Exact Mass 392.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0kcXBUH3lU
Name Desacetoxy-melcanthin F
Alternate Name(s) Methyl 11-methylene-4-(hydroxymethyl)-8-[(2''-methylbutanoyl)oxy]-5'-oxo-tetrahydrofurano[6,7-b]cyclodeca1(10),4-diene-10-carboxylate
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Formula C21H28O7
InChI InChI=1S/C21H28O7/c1-5-12(2)19(23)27-17-10-15(21(25)26-4)8-6-7-14(11-22)9-16-18(17)13(3)20(24)28-16/h8-9,12,16-18,22H,3,5-7,10-11H2,1-2,4H3/b14-9+,15-8+/t12?,16-,17?,18+/m1/s1
InChIKey AQFGGOQLDNXCED-GAXUQSIRSA-N
Molecular Weight 392.448 g/mol
SMILES OC\C1=C\[C@]2(OC(C([C@@]2(C(OC(=O)C(CC)C)C\C(C(=O)OC)=C/CC1)[H])=C)=O)[H]
SPLASH splash10-0a4r-9000000000-9462621bb3b11212c572
Source of Spectrum X2-50-171-1
Wiley ID 1602176