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2,7-Bis[3,4-(methylenedioxy)phenyl]-3,8-dioxobicyclo[4.4.0]decane-4,9-diol

View entire compound with spectra: 1 MS (GC)

2,7-Bis[3,4-(methylenedioxy)phenyl]-3,8-dioxobicyclo[4.4.0]decane-4,9-diol
SpectraBase Compound ID BrRr3gViQXl
InChI InChI=1S/C22H22O8/c23-19-8-14-13(21(29-19)11-1-3-15-17(5-11)27-9-25-15)7-20(24)30-22(14)12-2-4-16-18(6-12)28-10-26-16/h1-6,13-14,19-24H,7-10H2/t13-,14-,19?,20?,21+,22+/m0/s1
InChIKey PRWOFFZKNGLLPH-LAFZSOEZSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWwrok0IJqo
Name 2,7-Bis[3,4-(methylenedioxy)phenyl]-3,8-dioxobicyclo[4.4.0]decane-4,9-diol
Alternate Name(s) (2S,1aS,7S,6aS)-2,7-Bis[3,4-(methylenedioxy)phenyl]-3,8-dioxo-bicyclo[4.4.0]decane-4,9-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O8
InChI InChI=1S/C22H22O8/c23-19-8-14-13(21(29-19)11-1-3-15-17(5-11)27-9-25-15)7-20(24)30-22(14)12-2-4-16-18(6-12)28-10-26-16/h1-6,13-14,19-24H,7-10H2/t13-,14-,19?,20?,21+,22+/m0/s1
InChIKey PRWOFFZKNGLLPH-LAFZSOEZSA-N
Molecular Weight 414.410 g/mol
SMILES OC1O[C@@]([C@@]2([C@@]([C@](OC(C2)O)(c2cc3OCOc3cc2)[H])(C1)[H])[H])(c1cc2OCOc2cc1)[H]
SPLASH splash10-0udi-0960000000-afec74d1fbd9ca63bd1a
Source of Spectrum J-60-3062-23
Wiley ID 1375349