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(2E)-1-{3a'RS,5a'RS,6'SR,6a'SR,6b'SR)-6'-Bromo-2,2'-dimethylhexahydro-3a'H-cyclo[ropa[e][1',3']benzodioxol-6'-yl}-3-(3'',4'',5''-trimethoxyphenyl)prop-2-en-1-ol
SpectraBase Compound ID 9ks201rfa5z
InChI InChI=1S/C22H29BrO6/c1-21(2)28-14-8-7-13-18(20(14)29-21)22(13,23)17(24)9-6-12-10-15(25-3)19(27-5)16(11-12)26-4/h6,9-11,13-14,17-18,20,24H,7-8H2,1-5H3/b9-6+
InChIKey AXEQJNHWTJIUPD-RMKNXTFCSA-N
Mol Weight 469.37 g/mol
Molecular Formula C22H29BrO6
Exact Mass 468.114752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gJMkLtzDqs
Name (2E)-1-{3a'RS,5a'RS,6'SR,6a'SR,6b'SR)-6'-Bromo-2,2'-dimethylhexahydro-3a'H-cyclo[ropa[e][1',3']benzodioxol-6'-yl}-3-(3'',4'',5''-trimethoxyphenyl)prop-2-en-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29BrO6
InChI InChI=1S/C22H29BrO6/c1-21(2)28-14-8-7-13-18(20(14)29-21)22(13,23)17(24)9-6-12-10-15(25-3)19(27-5)16(11-12)26-4/h6,9-11,13-14,17-18,20,24H,7-8H2,1-5H3/b9-6+
InChIKey AXEQJNHWTJIUPD-RMKNXTFCSA-N
Molecular Weight 469.372 g/mol
SMILES OC(C1(C2C1CCC1OC(OC21)(C)C)Br)\C=C\c1cc(c(OC)c(c1)OC)OC
SPLASH splash10-000i-2109200000-80cf5d701de6552850db
Source of Spectrum KC-0-2824-18
Wiley ID 780062