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PULICANONE-TRIACETATE;(1E)-6-ALPHA,8-BETA,14-TRIACETOXY-7-BETA-H-GERMACRA-1(10),4(15)-DIEN-15-ONE
SpectraBase Compound ID EICuyxo0Tqn
InChI InChI=1S/C21H30O7/c1-12(2)19-18(27-15(5)23)10-17(11-26-14(4)22)9-7-8-13(3)20(25)21(19)28-16(6)24/h9,12,18-19,21H,3,7-8,10-11H2,1-2,4-6H3/b17-9+/t18-,19+,21+/m1/s1
InChIKey XFOYHMKDRKVKPJ-NRYJDXOVSA-N
Mol Weight 394.46 g/mol
Molecular Formula C21H30O7
Exact Mass 394.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5zPuhd1CLI
Name Triacetoxy-pulicanone
Alternate Name(s) 4-Methylene-5-oxo-6,8-diacetoxy-7-isopropyl)-10-(acetoxymethyl)cyclodec-10(1)-ene Acetic acid [(1E,7S,8S,9R)-7,9-diacetyloxy-5-methylene-6-oxo-8-propan-2-yl-1-cyclodecenyl]methyl ester [(1E,7S,8S,9R)-7,9-diacetyloxy-5-methylidene-6-oxo-8-propan-2-ylcyclodecen-1-yl]methyl acetate [(1E,7S,8S,9R)-7,9-diacetoxy-8-isopropyl-5-methylene-6-oxo-cyclodecen-1-yl]methyl acetate [(1E,7S,8S,9R)-7,9-diacetyloxy-5-methylidene-6-oxidanylidene-8-propan-2-yl-cyclodecen-1-yl]methyl ethanoate
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Formula C21H30O7
InChI InChI=1S/C21H30O7/c1-12(2)19-18(27-15(5)23)10-17(11-26-14(4)22)9-7-8-13(3)20(25)21(19)28-16(6)24/h9,12,18-19,21H,3,7-8,10-11H2,1-2,4-6H3/b17-9+/t18-,19+,21+/m1/s1
InChIKey XFOYHMKDRKVKPJ-NRYJDXOVSA-N
Molecular Weight 394.464 g/mol
SMILES [C@@]1(C(C(=C)CC\C=C/(C[C@]([C@@]1(C(C)C)[H])(OC(=O)C)[H])COC(=O)C)=O)(OC(=O)C)[H]
SPLASH splash10-0a4i-5980000000-620db2b1c3c46635e211
Source of Spectrum X2-68-529-4
Wiley ID 1609502