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Bis-(dehydro)-stemocochinine

View entire compound with spectra: 1 MS (GC)

Bis-(dehydro)-stemocochinine
SpectraBase Compound ID 5SzdGSvBQbP
InChI InChI=1S/C22H27NO5/c1-11-9-17(27-21(11)24)14-6-7-15-19-13(3)20(18-10-12(2)22(25)28-18)26-16(19)5-4-8-23(14)15/h6-7,10-11,13,16-20H,4-5,8-9H2,1-3H3/t11?,13?,16?,17?,18-,19?,20?/m1/s1
InChIKey JAIHEXISEDXFLY-VOYKFMLYSA-N
Mol Weight 385.46 g/mol
Molecular Formula C22H27NO5
Exact Mass 385.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OaN19xAVN6
Name Bis-(dehydro)-stemocochinine
Alternate Name(s) (5R*)-3-Methyl-5-{1'-methyl-8'-[4''-methyl-5''-oxotetrahydrofuran-2''-yl]-1',3'a,4',5',6',10'b-hexahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2'-yl}-furan-2(5H)-one 3-Methyl-5-{1-methyl-2-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-1,3a,4,5,6,10b-hexahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-8-yl}dihydro-2(3H)-furanone
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Formula C22H27NO5
InChI InChI=1S/C22H27NO5/c1-11-9-17(27-21(11)24)14-6-7-15-19-13(3)20(18-10-12(2)22(25)28-18)26-16(19)5-4-8-23(14)15/h6-7,10-11,13,16-20H,4-5,8-9H2,1-3H3/t11?,13?,16?,17?,18-,19?,20?/m1/s1
InChIKey JAIHEXISEDXFLY-VOYKFMLYSA-N
Molecular Weight 385.460 g/mol
SMILES c12[n](c(C3OC(=O)C(C3)C)cc1)CCCC1OC(C(C21)C)[C@@]1(OC(=O)C(=C1)C)[H]
SPLASH splash10-000i-1198000000-cb442d8fdc5d605913cd
Source of Spectrum H-90-2174-2
Wiley ID 1590905