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ASSAMICADINE
SpectraBase Compound ID 5fAKAoDCcpc
InChI InChI=1S/C16H23NO5/c1-9-14(19)22-10(2)16(9,3)15(20)21-8-11-4-6-17-7-5-12(18)13(11)17/h4,9-10,12-13,18H,5-8H2,1-3H3/t9?,10?,12-,13?,16?/m1/s1
InChIKey ZUGXHQOKJKNPFK-GDEMCPGJSA-N
Mol Weight 309.36 g/mol
Molecular Formula C16H23NO5
Exact Mass 309.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZiToAxp0uY
Name Methyl-assamicadine
Alternate Name(s) 2',3',4'-Trimethyl-cyclopentane-2',3'-bis(hydroxycarbonyl)-Retronecine-9-O-.gamma.-Lactone
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Formula C16H23NO5
InChI InChI=1S/C16H23NO5/c1-9-14(19)22-10(2)16(9,3)15(20)21-8-11-4-6-17-7-5-12(18)13(11)17/h4,9-10,12-13,18H,5-8H2,1-3H3/t9?,10?,12-,13?,16?/m1/s1
InChIKey ZUGXHQOKJKNPFK-GDEMCPGJSA-N
Molecular Weight 309.362 g/mol
SMILES O[C@@]1(CCN2C1C(COC(C1(C(OC(C1C)=O)C)C)=O)=CC2)[H]
SPLASH splash10-0006-9400000000-283ea5b07261d7d84c30
Source of Spectrum X2-52-1155-1
Wiley ID 1603322