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JERANTIPHYLLINE-A
SpectraBase Compound ID Dq9y7Kmp1Cw
InChI InChI=1S/C22H26N2O6/c1-5-21(11-25)10-13(19(28)30-4)18-22(6-7-24(12(2)26)20(21)22)14-8-16(27)17(29-3)9-15(14)23-18/h8-9,11,20,23,27H,5-7,10H2,1-4H3/t20-,21+,22-/m0/s1
InChIKey CEHXBZBRVHEPPC-BDTNDASRSA-N
Mol Weight 414.46 g/mol
Molecular Formula C22H26N2O6
Exact Mass 414.179087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bp2bY1wIbhS
Name (3aR,4S,11bR)-methyl 3-acetyl-4-ethyl-4-formyl-10-hydroxy-9-methoxy-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylate
Alternate Name(s) Jerantiphylline A Methyl (3aR,4S,11bR)-3-acetyl-4-ethyl-4-formyl-10-hydroxy-9-methoxy-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylate
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Formula C22H26N2O6
InChI InChI=1S/C22H26N2O6/c1-5-21(11-25)10-13(19(28)30-4)18-22(6-7-24(12(2)26)20(21)22)14-8-16(27)17(29-3)9-15(14)23-18/h8-9,11,20,23,27H,5-7,10H2,1-4H3/t20-,21+,22-/m0/s1
InChIKey CEHXBZBRVHEPPC-BDTNDASRSA-N
Molecular Weight 414.458 g/mol
SMILES N1C=2[C@]3(c4c1cc(c(c4)O)OC)[C@]([C@](CC2C(=O)OC)(C=O)CC)(N(CC3)C(C)=O)[H]
SPLASH splash10-03dl-4092300000-6829b9503143a8171c4e
Source of Spectrum Kuan-Hon Lim, et al. Phytochemistry, V. 70, 2009, P.424-429
Wiley ID 1817566