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[2-ALPHA,3A-BETA,4-BETA,4A-BETA,5-BETA,10-BETA,10A-BETA,11-BETA,11A-BETA]-2-(4''-BROMOPHENYL)-4,11-DIMETHOXY-3A,4,4A,5,10,10A,11,11A-OCTAHYDRO-5,10

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[2-ALPHA,3A-BETA,4-BETA,4A-BETA,5-BETA,10-BETA,10A-BETA,11-BETA,11A-BETA]-2-(4''-BROMOPHENYL)-4,11-DIMETHOXY-3A,4,4A,5,10,10A,11,11A-OCTAHYDRO-5,10
SpectraBase Compound ID 3Zl3zlOTQvl
InChI InChI=1S/C29H27BrO4/c1-31-25-23-21-17-7-3-5-9-19(17)22(20-10-6-4-8-18(20)21)24(23)26(32-2)28-27(25)33-29(34-28)15-11-13-16(30)14-12-15/h3-14,21-29H,1-2H3/t21-,22+,23?,24?,25-,26+,27?,28?,29+
InChIKey ZQMGYFRAIGWKOX-HVKDTNRQSA-N
Mol Weight 519.44 g/mol
Molecular Formula C29H27BrO4
Exact Mass 518.109272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CAzoq7e7pYE
Name [2-ALPHA,3A-BETA,4-BETA,4A-BETA,5-BETA,10-BETA,10A-BETA,11-BETA,11A-BETA]-2-(4''-BROMOPHENYL)-4,11-DIMETHOXY-3A,4,4A,5,10,10A,11,11A-OCTAHYDRO-5,10
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27BrO4
InChI InChI=1S/C29H27BrO4/c1-31-25-23-21-17-7-3-5-9-19(17)22(20-10-6-4-8-18(20)21)24(23)26(32-2)28-27(25)33-29(34-28)15-11-13-16(30)14-12-15/h3-14,21-29H,1-2H3/t21-,22+,23?,24?,25-,26+,27?,28?,29+
InChIKey ZQMGYFRAIGWKOX-HVKDTNRQSA-N
Literature Reference Author R.C.CAMBIE,P.S.RUTLEDGE,P.A.WATSON,P.D.WOODGATE
Literature Reference Citation AUSTR.J.CHEM.,42,1939(1989)
Literature Reference DOI 10.1071/ch9891939
Molecular Weight 519.435 g/mol
Solvent Unknown
Source File Reference UWRU8738