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(2E,4E,6R)-N-[(3S,5R,6R,7S)-7,9-dichloro-6-hydroxy-2,8-diketo-1-oxaspiro[4.5]dec-9-en-3-yl]-4,6-dimethyl-dodeca-2,4-dienamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2E,4E,6R)-N-[(3S,5R,6R,7S)-7,9-dichloro-6-hydroxy-2,8-diketo-1-oxaspiro[4.5]dec-9-en-3-yl]-4,6-dimethyl-dodeca-2,4-dienamide
SpectraBase Compound ID MC6fbMkik4
InChI InChI=1S/C23H31Cl2NO5/c1-4-5-6-7-8-14(2)11-15(3)9-10-18(27)26-17-13-23(31-22(17)30)12-16(24)20(28)19(25)21(23)29/h9-12,14,17,19,21,29H,4-8,13H2,1-3H3,(H,26,27)/b10-9+,15-11+/t14-,17+,19-,21+,23+/m1/s1
InChIKey METZBVYOQVJJBD-UVAVISCTSA-N
Mol Weight 472.41 g/mol
Molecular Formula C23H31Cl2NO5
Exact Mass 471.157928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91ZNAfN34cm
Name 6-Chloro-5-hydroxy-1,7-dioxogymnastatin E
Alternate Name(s) (2E,4E,6R)-N-[(2S,5R,9S,10R)-7,9-bis(chloranyl)-10-oxidanyl-3,8-bis(oxidanylidene)-4-oxaspiro[4.5]dec-6-en-2-yl]-4,6-dimethyl-dodeca-2,4-dienamide (2E,4E,6R)-N-[(2S,5R,9S,10R)-7,9-dichloro-10-hydroxy-3,8-diketo-4-oxaspiro[4.5]dec-6-en-2-yl]-4,6-dimethyl-dodeca-2,4-dienamide (2E,4E,6R)-N-[(2S,5R,9S,10R)-7,9-dichloro-10-hydroxy-3,8-dioxo-4-oxaspiro[4.5]dec-6-en-2-yl]-4,6-dimethyl-dodeca-2,4-dienamide (2E,4E,6R)-N-[(3S,5R,9S,10R)-7,9-dichloro-10-hydroxy-2,8-dioxo-1-oxaspiro[4.5]dec-6-en-3-yl]-4,6-dimethyl-2,4-dodecadienamide (2E,4E,6R)-N-[(3S,5R,6R,7S)-7,9-dichloro-6-hydroxy-2,8-dioxo-1-oxaspiro[4.5]dec-9-en-3-yl]-4,6-dimethyldodeca-2,4-dienamide (2E,4E,6R)-N-[(3S,5R,6R,7S)-7,9-dichloro-6-hydroxy-2,8-dioxo-1-oxaspiro[4.5]dec-9-en-3-yl]-4,6-dimethyl-dodeca-2,4-dienamide (2E,4E,6R)-N-[(3S,5R,6R,7S)-7,9-bis(chloranyl)-6-oxidanyl-2,8-bis(oxidanylidene)-1-oxaspiro[4.5]dec-9-en-3-yl]-4,6-dimethyl-dodeca-2,4-dienamide
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Formula C23H31Cl2NO5
InChI InChI=1S/C23H31Cl2NO5/c1-4-5-6-7-8-14(2)11-15(3)9-10-18(27)26-17-13-23(31-22(17)30)12-16(24)20(28)19(25)21(23)29/h9-12,14,17,19,21,29H,4-8,13H2,1-3H3,(H,26,27)/b10-9+,15-11+/t14-,17+,19-,21+,23+/m1/s1
InChIKey METZBVYOQVJJBD-UVAVISCTSA-N
Molecular Weight 472.409 g/mol
SMILES O[C@]1([C@@](C(C(=C[C@]11C[C@@](C(O1)=O)(NC(\C=C\C(=C\[C@@](CCCCCC)(C)[H])C)=O)[H])Cl)=O)(Cl)[H])[H]
SPLASH splash10-0adi-1690300000-673126ca34ac76339647
Source of Spectrum KC-0-3598-10
Wiley ID 826997