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Stachybotrin B Diacetate
SpectraBase Compound ID 8FYnaHZehIm
InChI InChI=1S/C27H35NO6/c1-16(2)9-7-10-17(3)11-8-12-27(6)24(33-19(5)30)14-21-23(32-18(4)29)13-20-22(25(21)34-27)15-28-26(20)31/h9,11,13,24H,7-8,10,12,14-15H2,1-6H3,(H,28,31)/b17-11+/t24-,27-/m0/s1
InChIKey KAEJQRPTKAKPFW-KPXCOUOCSA-N
Mol Weight 469.6 g/mol
Molecular Formula C27H35NO6
Exact Mass 469.246438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdXUmedjwg6
Name Stachybotrin B Diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35NO6
InChI InChI=1S/C27H35NO6/c1-16(2)9-7-10-17(3)11-8-12-27(6)24(33-19(5)30)14-21-23(32-18(4)29)13-20-22(25(21)34-27)15-28-26(20)31/h9,11,13,24H,7-8,10,12,14-15H2,1-6H3,(H,28,31)/b17-11+/t24-,27-/m0/s1
InChIKey KAEJQRPTKAKPFW-KPXCOUOCSA-N
Molecular Weight 469.578 g/mol
SMILES N1C(c2cc(c3c(c2C1)O[C@]([C@](C3)(OC(=O)C)[H])(CC\C=C\(CCC=C(C)C)C)C)OC(=O)C)=O
SPLASH splash10-05mp-9000000000-9d254fc103a91ab770c9
Source of Spectrum J-57-6702-0
Synonyms (2S,3S)-3-(acetyloxy)-2-[(3E)-4,8-dimethyl-3,7-nonadienyl]-2-methyl-7-oxo-2,3,4,7,8,9-hexahydropyrano[2,3-e]isoindol-5-yl acetate Acetic acid[(2S,3S)-5-acetoxy-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-7-keto-2-methyl-3,4,8,9-tetrahydropyran[2,3-e]isoindol-3-yl]ester Acetic acid[(2S,3S)-5-acetyloxy-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-7-oxo-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-3-yl]ester [(2S,3S)-5-acetoxy-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-7-oxo-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-3-yl]acetate [(2S,3S)-5-acetyloxy-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-7-oxidanylidene-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-3-yl]ethanoate [(2S,3S)-5-acetyloxy-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-7-oxo-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-3-yl]acetate Acetic acid [(2S,3S)-5-acetyloxy-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-7-oxo-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-3-yl] ester [(2S,3S)-5-acetyloxy-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-7-oxo-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-3-yl] acetate [(2S,3S)-5-acetoxy-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-7-oxo-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-3-yl] acetate [(2S,3S)-5-acetyloxy-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-7-oxidanylidene-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-3-yl] ethanoate
Wiley ID 1392654