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Integerrimine methylthiomethyl ether
SpectraBase Compound ID 4xREPwNhUYx
InChI InChI=1S/C20H29NO5S/c1-5-14-10-13(2)20(3,25-12-27-4)19(23)24-11-15-6-8-21-9-7-16(17(15)21)26-18(14)22/h5-6,13,16-17H,7-12H2,1-4H3/b14-5+/t13-,16-,17-,20-/m1/s1
InChIKey CZNCNRXIGIVAOM-YPVPIWALSA-N
Mol Weight 395.51 g/mol
Molecular Formula C20H29NO5S
Exact Mass 395.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32M2sTCzmy
Name Integerrimine methylthiomethyl ether
Alternate Name(s) (13alpha,15cis)-12-[(methylsulfanyl)methoxy]senecionan-11,16-dione
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Formula C20H29NO5S
InChI InChI=1S/C20H29NO5S/c1-5-14-10-13(2)20(3,25-12-27-4)19(23)24-11-15-6-8-21-9-7-16(17(15)21)26-18(14)22/h5-6,13,16-17H,7-12H2,1-4H3/b14-5+/t13-,16-,17-,20-/m1/s1
InChIKey CZNCNRXIGIVAOM-YPVPIWALSA-N
Molecular Weight 395.514 g/mol
SMILES C1(O[C@]2([C@]3(C(=CCN3CC2)COC([C@@]([C@@](C\C1=C\C)(C)[H])(OCSC)C)=O)[H])[H])=O
SPLASH splash10-000l-0983000000-6e899003b8327afada08
Source of Spectrum F-48-410-51
Wiley ID 1367016