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BORASSOSIDE-E
SpectraBase Compound ID 1I4BGO0DREJ
InChI InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20-,21+,22-,24-,25+,26-,27-,28-,29+,30-,31+,32-,33-,34+,35-,36+,37-,38+,39+,40+,41-,42+,43-,44-,45-/m0/s1
InChIKey VNONINPVFQTJOC-BJASLQIVSA-N
Mol Weight 869.1 g/mol
Molecular Formula C45H72O16
Exact Mass 868.482036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2zzUG5QEIN
Name BORASSOSIDE-E
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H72O16
InChI InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20-,21+,22-,24-,25+,26-,27-,28-,29+,30-,31+,32-,33-,34+,35-,36+,37-,38+,39+,40+,41-,42+,43-,44-,45-/m0/s1
InChIKey VNONINPVFQTJOC-BJASLQIVSA-N
Literature Reference Author M.YOSHIKAWA,F.XU,T.MORIKAWA,Y.PONGPIRIYADACHA,S.NAKAMURA,Y.A SAO,A.KUMAHARA,H.MAT
Literature Reference Citation CHEM.PHARM.BULL.,55,308(2007)
Literature Reference DOI 10.1248/cpb.55.308
Molecular Weight 869.057 g/mol
Sample ID 55448
Solvent C5D5N