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Longeracemosone C

View entire compound with spectra: 1 MS (GC)

Longeracemosone C
SpectraBase Compound ID GgKQIDXpnJf
InChI InChI=1S/C25H26O6/c1-13(2)17(26)12-16-23-15(10-11-25(3,4)31-23)19(27)18-20(28)21(29)22(30-24(16)18)14-8-6-5-7-9-14/h5-11,17,21-22,26-27,29H,1,12H2,2-4H3/t17-,21-,22+/m0/s1
InChIKey JAJUIQORHRAYGX-BULFRSBZSA-N
Mol Weight 422.48 g/mol
Molecular Formula C25H26O6
Exact Mass 422.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgDgNr0NP6W
Name Longeracemosone C
Alternate Name(s) (7R,8R)-5,7-dihydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-8-phenyl-7,8-dihydropyrano[3,2-g][1]benzopyran-6-one (7R,8R)-5,7-dihydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one (7R,8R)-2,2-dimethyl-10-[(2S)-3-methyl-2-oxidanyl-but-3-enyl]-5,7-bis(oxidanyl)-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one
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Formula C25H26O6
InChI InChI=1S/C25H26O6/c1-13(2)17(26)12-16-23-15(10-11-25(3,4)31-23)19(27)18-20(28)21(29)22(30-24(16)18)14-8-6-5-7-9-14/h5-11,17,21-22,26-27,29H,1,12H2,2-4H3/t17-,21-,22+/m0/s1
InChIKey JAJUIQORHRAYGX-BULFRSBZSA-N
Molecular Weight 422.477 g/mol
SMILES Oc1c2c(c(C[C@@](C(=C)C)(O)[H])c3OC(C=Cc13)(C)C)O[C@@]([C@](C2=O)(O)[H])(c1ccccc1)[H]
SPLASH splash10-0udi-0369100000-421b0e9bc3a56b105e7a
Source of Spectrum U1-2011-3807-3
Wiley ID 1665652