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massarigenin C
SpectraBase Compound ID 7qATHE1UWJT
InChI InChI=1S/C11H12O5/c1-5-3-4-7(12)9(14)11(5)8(13)6(2)16-10(11)15/h3-5,8-9,13-14H,2H2,1H3/t5-,8+,9+,11-/m1/s1
InChIKey MWZYYACVPIJBPD-SIWOTSRUSA-N
Mol Weight 224.21 g/mol
Molecular Formula C11H12O5
Exact Mass 224.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pbuIvEIWDO
Name massarigenin C
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O5
InChI InChI=1S/C11H12O5/c1-5-3-4-7(12)9(14)11(5)8(13)6(2)16-10(11)15/h3-5,8-9,13-14H,2H2,1H3/t5-,8+,9+,11-/m1/s1
InChIKey MWZYYACVPIJBPD-SIWOTSRUSA-N
Instrument Name VG TRIO 1 quadrupole
Ionization Type EI
Literature Reference DOI 10.1021/np020342d
Molecular Weight 224.212 g/mol
Optical Rotation [a]D24 = -123 (c = 0.34, CH3OH)
Reported Formula C11H12O5
SMILES O[C@@]1([C@]2([C@](C(C=C[C@]2(C)[H])=O)(O)[H])C(OC1=C)=O)[H]
SPLASH splash10-001i-9100000000-ab9506bd3529abd80187
Source of Spectrum G4-66-77-3
Wiley ID 1881189