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#2;(2S,4A-S,5S,6R,8A-S)-5-(2-((1S,3A-S,5R,8A-S,Z)-1-HYDROXY-1,4,4,6-TETRAMETHYL-1,2,3,3A,4,5,8,8A-OCTAHYDROAZULEN-5-YL)-ETHYL)-4A,6-DIMETHYLOCTAHYDRO-2H-CHR

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#2;(2S,4A-S,5S,6R,8A-S)-5-(2-((1S,3A-S,5R,8A-S,Z)-1-HYDROXY-1,4,4,6-TETRAMETHYL-1,2,3,3A,4,5,8,8A-OCTAHYDROAZULEN-5-YL)-ETHYL)-4A,6-DIMETHYLOCTAHYDRO-2H-CHR
SpectraBase Compound ID 8bULwOQGwY1
InChI InChI=1S/C27H46O4/c1-17-7-8-20-19(11-15-26(20,5)29)24(2,3)18(17)9-10-21-25(4)14-13-23(28)31-22(25)12-16-27(21,6)30/h7,18-23,28-30H,8-16H2,1-6H3/t18-,19+,20+,21-,22-,23-,25-,26+,27+/m1/s1
InChIKey QHUWGQUBUQPIRE-FLLYOTATSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H68zPZ2F7M9
Name #2;(2S,4A-S,5S,6R,8A-S)-5-(2-((1S,3A-S,5R,8A-S,Z)-1-HYDROXY-1,4,4,6-TETRAMETHYL-1,2,3,3A,4,5,8,8A-OCTAHYDROAZULEN-5-YL)-ETHYL)-4A,6-DIMETHYLOCTAHYDRO-2H-CHR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-17-7-8-20-19(11-15-26(20,5)29)24(2,3)18(17)9-10-21-25(4)14-13-23(28)31-22(25)12-16-27(21,6)30/h7,18-23,28-30H,8-16H2,1-6H3/t18-,19+,20+,21-,22-,23-,25-,26+,27+/m1/s1
InChIKey QHUWGQUBUQPIRE-FLLYOTATSA-N
Literature Reference Author S.JAIN,I.ABRAHAM,P.CARVALHO,Y.H.KUANG,L.A.SHAALA,D.T.A.YOUSS EF,M.A.AVERY,Z.S.CHE
Literature Reference Citation J.NAT.PROD.,72,1291(2009)
Literature Reference DOI 10.1021/np900091y
Molecular Weight 434.660 g/mol
Sample ID 33196
Solvent C5D5N