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6H-[1,3]Benzodioxolo[5,6-c][1]benzopyran-6-one, 3,4,4a,11b-tetrahydro-7-hydroxy-4-iodo-, (4.alpha.,4a.alpha.,11b.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

6H-[1,3]Benzodioxolo[5,6-c][1]benzopyran-6-one, 3,4,4a,11b-tetrahydro-7-hydroxy-4-iodo-, (4.alpha.,4a.alpha.,11b.alpha.)-(.+-.)-
SpectraBase Compound ID 9IX7oe8wy6I
InChI InChI=1S/C14H11IO5/c15-8-3-1-2-6-7-4-9-13(19-5-18-9)11(16)10(7)14(17)20-12(6)8/h1-2,4,6,8,12,16H,3,5H2/t6-,8+,12+/m1/s1
InChIKey MPMLXBPRVGLXIN-SVERMHFZSA-N
Mol Weight 386.14 g/mol
Molecular Formula C14H11IO5
Exact Mass 385.965118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AO5cKagrzVs
Name 6H-[1,3]Benzodioxolo[5,6-c][1]benzopyran-6-one, 3,4,4a,11b-tetrahydro-7-hydroxy-4-iodo-, (4.alpha.,4a.alpha.,11b.alpha.)-(.+-.)-
Alternate Name(s) (4S,4aS,11bR)-7-hydroxy-4-iodo-3,4,4a,11b-tetrahydro-6H-[1,3]benzodioxolo[5,6-c]chromen-6-one [(+-)-(4.alpha.,4a.alpha.,11b.alpha.)-3,4,4a,11b-tetrahydro-4-iodo-7-hydroxy-6H-[1,3]benzodioxolo[5,6-c][1]benzopyran-6-one
CAS Registry Number 120882-45-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11IO5
InChI InChI=1S/C14H11IO5/c15-8-3-1-2-6-7-4-9-13(19-5-18-9)11(16)10(7)14(17)20-12(6)8/h1-2,4,6,8,12,16H,3,5H2/t6-,8+,12+/m1/s1
InChIKey MPMLXBPRVGLXIN-SVERMHFZSA-N
Molecular Weight 386.141 g/mol
SMILES Oc1c2C(O[C@]3([C@@](c2cc2c1OCO2)(C=CC[C@@]3(I)[H])[H])[H])=O
SPLASH splash10-000i-0339000000-a8d5481bcd4908c460f6
Source of Spectrum C-111-4835-17
Wiley ID 1362404