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OPERCULINIC-ACID-H-METHYLESTER
SpectraBase Compound ID 149FaQaxwSr
InChI InChI=1S/C53H94O32/c1-5-6-14-24(15-12-10-8-7-9-11-13-23(57)16-29(58)73-4)77-52-46(39(68)34(63)28(81-52)20-74-48-40(69)36(65)30(59)21(2)75-48)84-53-47(45(35(64)27(19-56)80-53)83-50-42(71)38(67)33(62)26(18-55)79-50)85-51-43(72)44(31(60)22(3)76-51)82-49-41(70)37(66)32(61)25(17-54)78-49/h21-28,30-57,59-72H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27-,28-,30-,31+,32-,33+,34-,35-,36+,37+,38-,39+,40+,41-,42+,43-,44-,45+,46-,47-,48+,49+,50-,51+,52-,53+/m1/s1
InChIKey VEXYIKLMZWOACE-ZCJLGIBQSA-N
Mol Weight 1243.3 g/mol
Molecular Formula C53H94O32
Exact Mass 1242.572821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6RNTmGUIjj
Name LITERATURE-REFERANCE-19
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H94O32
InChI InChI=1S/C53H94O32/c1-5-6-14-24(15-12-10-8-7-9-11-13-23(57)16-29(58)73-4)77-52-46(39(68)34(63)28(81-52)20-74-48-40(69)36(65)30(59)21(2)75-48)84-53-47(45(35(64)27(19-56)80-53)83-50-42(71)38(67)33(62)26(18-55)79-50)85-51-43(72)44(31(60)22(3)76-51)82-49-41(70)37(66)32(61)25(17-54)78-49/h21-28,30-57,59-72H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27-,28-,30-,31+,32-,33+,34-,35-,36+,37+,38-,39+,40+,41-,42+,43-,44-,45+,46-,47-,48+,49+,50-,51+,52-,53+/m1/s1
InChIKey VEXYIKLMZWOACE-ZCJLGIBQSA-N
Literature Reference Author M.ONO,H.NISHIOKA,T.FUKUSHIMA,H.KUNIMATSU,A.MINE,H.KUBO,K.MIY AHARA
Literature Reference Citation CHEM.PHARM.BULL.,57,262(2009)
Literature Reference DOI 10.1248/cpb.57.262
Molecular Weight 1243.310 g/mol
Sample ID 2270
Solvent C5D5N