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(+)-7',7'-DIMETHYL-5-HYDROXY-2R,3S-TRANS-PUBESCHIN
SpectraBase Compound ID C5s7OQ9mMfa
InChI InChI=1S/C18H18O6/c1-18(2)11-7-14(22)13(21)5-9(11)17-16(24-18)6-10-12(20)3-8(19)4-15(10)23-17/h3-5,7,16-17,19-22H,6H2,1-2H3/t16-,17+/m0/s1
InChIKey QEJAXMORBPLKCL-DLBZAZTESA-N
Mol Weight 330.34 g/mol
Molecular Formula C18H18O6
Exact Mass 330.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID e7dXRH47Ls
Name (6aS,12aR)-5,5-dimethyl-7,12a-dihydro-6aH-isochromeno[4,3-b]chromene-2,3,8,10-tetrol
Alternate Name(s) (6aS,12aR)-5,5-dimethyl-7,12a-dihydro-6aH-[2]benzopyrano[4,3-b][1]benzopyran-2,3,8,10-tetrol
CAS Registry Number 132125-04-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O6
InChI InChI=1S/C18H18O6/c1-18(2)11-7-14(22)13(21)5-9(11)17-16(24-18)6-10-12(20)3-8(19)4-15(10)23-17/h3-5,7,16-17,19-22H,6H2,1-2H3/t16-,17+/m0/s1
InChIKey QEJAXMORBPLKCL-DLBZAZTESA-N
Molecular Weight 330.336 g/mol
SMILES Oc1cc2O[C@@]3(c4cc(c(cc4C(O[C@]3(Cc2c(c1)O)[H])(C)C)O)O)[H]
SPLASH splash10-0159-0309000000-ea2df8c3a6b47252fc9c
Source of Spectrum F-46-7853-5
Wiley ID 1327791