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Sanggenol A
SpectraBase Compound ID 6aqURDwSDD8
InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-17-19(27)10-9-18(25(17)30)22-13-21(29)24-20(28)11-16(26)12-23(24)31-22/h5,7,9-12,22,26-28,30H,4,6,8,13H2,1-3H3/b15-7+/t22-/m0/s1
InChIKey QNPMSYLDWCXEOI-CEMXSPGASA-N
Mol Weight 424.49 g/mol
Molecular Formula C25H28O6
Exact Mass 424.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNNCI17N9Xt
Name Sanggenol A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O6
InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-17-19(27)10-9-18(25(17)30)22-13-21(29)24-20(28)11-16(26)12-23(24)31-22/h5,7,9-12,22,26-28,30H,4,6,8,13H2,1-3H3/b15-7+/t22-/m0/s1
InChIKey QNPMSYLDWCXEOI-CEMXSPGASA-N
Molecular Weight 424.493 g/mol
SMILES Oc1c(c(c([C@@]2(CC(c3c(cc(cc3O2)O)O)=O)[H])cc1)O)C\C=C\(CCC=C(C)C)C
SPLASH splash10-0uk9-0913400000-3ee975e8fe51f3338bcc
Source of Spectrum H1-43-434-1
Synonyms (2S)-2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one (2S)-2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-phenyl]-5,7-dihydroxy-chroman-4-one (2S)-2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one (2S)-2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
Wiley ID 757771