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ARISTOPHYLLIDE-C
SpectraBase Compound ID 7cYdmTrbyVy
InChI InChI=1S/C32H31NO8/c1-6-32(4)12-8-9-20(29(32)18(2)16-34)13-19(3)41-31(35)23-15-26-30(40-17-39-26)28-21-10-7-11-25(38-5)22(21)14-24(27(23)28)33(36)37/h6-7,9-11,14-16,19,29H,1-2,8,12-13,17H2,3-5H3/t19-,29+,32-/m0/s1
InChIKey XXQZGCCUBVSBKJ-ZUECTMELSA-N
Mol Weight 557.6 g/mol
Molecular Formula C32H31NO8
Exact Mass 557.204967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hL79LeTeua
Name Arystophyllide B
Alternate Name(s) 8-Methoxy-6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid [(2S)-1-[(5R,6R)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)-1-cyclohexenyl]propan-2-yl] ester [(2S)-1-[(5R,6R)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohexen-1-yl]propan-2-yl] 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate [(1S)-2-[(5R,6R)-6-(1-formylvinyl)-5-methyl-5-vinyl-cyclohexen-1-yl]-1-methyl-ethyl] 8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylate [(2S)-1-[(5R,6R)-5-ethenyl-5-methyl-6-(3-oxidanylideneprop-1-en-2-yl)cyclohexen-1-yl]propan-2-yl] 8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylate
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Formula C32H31NO8
InChI InChI=1S/C32H31NO8/c1-6-32(4)12-8-9-20(29(32)18(2)16-34)13-19(3)41-31(35)23-15-26-30(40-17-39-26)28-21-10-7-11-25(38-5)22(21)14-24(27(23)28)33(36)37/h6-7,9-11,14-16,19,29H,1-2,8,12-13,17H2,3-5H3/t19-,29+,32-/m0/s1
InChIKey XXQZGCCUBVSBKJ-ZUECTMELSA-N
Molecular Weight 557.599 g/mol
SMILES c1(c2c(C(O[C@](CC=3[C@]([C@](C=C)(C)CCC3)(C(=C)C=O)[H])(C)[H])=O)cc3c(c2c2c(c1)c(OC)ccc2)OCO3)N(=O)=O
SPLASH splash10-0006-0091000000-8e352ac6076709e77328
Source of Spectrum G4-62-350-2
Wiley ID 1607748