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4H-1-Benzopyran-4-one, 2-[3,4-dimethoxy-5-(3-methyl-2-butenyl)phenyl]-2,3-dihydro-5-hydroxy-7-methoxy-, (S)-
SpectraBase Compound ID 8TdewYR4pJa
InChI InChI=1S/C23H26O6/c1-13(2)6-7-14-8-15(9-21(27-4)23(14)28-5)19-12-18(25)22-17(24)10-16(26-3)11-20(22)29-19/h6,8-11,19,24H,7,12H2,1-5H3/t19-/m0/s1
InChIKey FUGUFYASJVWLIX-IBGZPJMESA-N
Mol Weight 398.46 g/mol
Molecular Formula C23H26O6
Exact Mass 398.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPuERyhTDIR
Name 4H-1-Benzopyran-4-one, 2-[3,4-dimethoxy-5-(3-methyl-2-butenyl)phenyl]-2,3-dihydro-5-hydroxy-7-methoxy-, (S)-
Alternate Name(s) (2S)-2-[3,4-dimethoxy-5-(3-methyl-2-butenyl)phenyl]-5-hydroxy-7-methoxy-2,3-dihydro-4H-chromen-4-one Sigmoidin B trimethyl ether
CAS Registry Number 101910-48-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O6
InChI InChI=1S/C23H26O6/c1-13(2)6-7-14-8-15(9-21(27-4)23(14)28-5)19-12-18(25)22-17(24)10-16(26-3)11-20(22)29-19/h6,8-11,19,24H,7,12H2,1-5H3/t19-/m0/s1
InChIKey FUGUFYASJVWLIX-IBGZPJMESA-N
Molecular Weight 398.455 g/mol
SMILES Oc1c2C(C[C@](Oc2cc(c1)OC)(c1cc(CC=C(C)C)c(c(c1)OC)OC)[H])=O
SPLASH splash10-001i-1119000000-313c338374af128d7f2b
Source of Spectrum KC-1986-35-7
Wiley ID 1368465