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Pongapinone B

View entire compound with spectra: 1 MS (GC)

Pongapinone B
SpectraBase Compound ID 4cmvcxQtSiA
InChI InChI=1S/C23H24O6/c1-13(2)5-7-15-19(25-3)11-21(26-4)22-16(24)10-18(29-23(15)22)14-6-8-17-20(9-14)28-12-27-17/h5-6,8-9,11,18H,7,10,12H2,1-4H3/t18-/m0/s1
InChIKey QNKSZZRDFRCBNL-SFHVURJKSA-N
Mol Weight 396.44 g/mol
Molecular Formula C23H24O6
Exact Mass 396.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kd981e5sSzz
Name Pongapinone B
Alternate Name(s) (2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one (2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
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Formula C23H24O6
InChI InChI=1S/C23H24O6/c1-13(2)5-7-15-19(25-3)11-21(26-4)22-16(24)10-18(29-23(15)22)14-6-8-17-20(9-14)28-12-27-17/h5-6,8-9,11,18H,7,10,12H2,1-4H3/t18-/m0/s1
InChIKey QNKSZZRDFRCBNL-SFHVURJKSA-N
Molecular Weight 396.439 g/mol
SMILES c12c(C(=O)C[C@](O2)(c2cc3OCOc3cc2)[H])c(OC)cc(c1CC=C(C)C)OC
SPLASH splash10-001j-6009000000-f72bc3c31a4ce28105b9
Source of Spectrum E1-40-2043-2
Wiley ID 1519601