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Gymnastatin A

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

Gymnastatin A
SpectraBase Compound ID IVGpxXrvovQ
InChI InChI=1S/C23H31Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-20(27)26-19-14-23(30-22(19)29)12-17(24)21(28)18(25)13-23/h9-13,15,19,22,29H,4-8,14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,19+,22-/m1/s1
InChIKey NGXMXBNROHVABT-JSWNYRKASA-N
Mol Weight 456.41 g/mol
Molecular Formula C23H31Cl2NO4
Exact Mass 455.163014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxUfFmNqMTY
Name Gymnastatin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31Cl2NO4
InChI InChI=1S/C23H31Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-20(27)26-19-14-23(30-22(19)29)12-17(24)21(28)18(25)13-23/h9-13,15,19,22,29H,4-8,14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,19+,22-/m1/s1
InChIKey NGXMXBNROHVABT-JSWNYRKASA-N
Molecular Weight 456.410 g/mol
SMILES O[C@@]1(OC2(C[C@@]1(NC(\C=C\C(=C\[C@@](CCCCCC)(C)[H])C)=O)[H])C=C(Cl)C(C(=C2)Cl)=O)[H]
SPLASH splash10-004i-0790000000-7fe79ba6359aba35b256
Source of Spectrum KC-0-3594-1
Synonyms (2E,4E)-(R)-4,6-Dimethyl-dodeca-2,4-dienoic acid ((2R,3S)-7,9-dichloro-2-hydroxy-8-oxo-1-oxa-spiro[4.5]deca-6,9-dien-3-yl)-amide (2E,4E,6R)-N-[(2S)-7,9-bis(chloranyl)-3-oxidanyl-8-oxidanylidene-4-oxaspiro[4.5]deca-6,9-dien-2-yl]-4,6-dimethyl-dodeca-2,4-dienamide (2E,4E,6R)-N-[(2S)-7,9-dichloro-3-hydroxy-8-keto-4-oxaspiro[4.5]deca-6,9-dien-2-yl]-4,6-dimethyl-dodeca-2,4-dienamide (2E,4E,6R)-N-[(2S)-7,9-dichloro-3-hydroxy-8-oxo-4-oxaspiro[4.5]deca-6,9-dien-2-yl]-4,6-dimethyl-dodeca-2,4-dienamide (2E,4E,6R)-N-[(3S)-7,9-dichloro-2-hydroxy-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-4,6-dimethyl-2,4-dodecadienamide (2E,4E,6R)-N-[(2R,3S)-7,9-dichloro-2-hydroxy-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-4,6-dimethyldodeca-2,4-dienamide (2E,4E,6R)-N-[(2R,3S)-7,9-dichloro-2-hydroxy-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-4,6-dimethyl-dodeca-2,4-dienamide (2E,4E,6R)-N-[(2R,3S)-7,9-bis(chloranyl)-2-oxidanyl-8-oxidanylidene-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-4,6-dimethyl-dodeca-2,4-dienamide
Wiley ID 827016