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IDGBFYVSNABVRJ-FLHWDFIUSA-N
SpectraBase Compound ID Jy9fF7I0a4A
InChI InChI=1S/C48H76O20/c1-21-29(52)31(54)34(57)39(64-21)67-37-24(18-49)65-38(36(59)33(37)56)63-19-25-30(53)32(55)35(58)40(66-25)68-42(62)48-15-13-43(2,41(60)61)17-23(48)22-7-8-27-44(3)11-10-28(51)45(4,20-50)26(44)9-12-47(27,6)46(22,5)14-16-48/h7,21,23-40,49-59H,8-20H2,1-6H3,(H,60,61)/t21-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,43-,44+,45+,46-,47-,48+/m1/s1
InChIKey IDGBFYVSNABVRJ-FLHWDFIUSA-N
Mol Weight 973.1 g/mol
Molecular Formula C48H76O20
Exact Mass 972.492995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Boln4ElgCL
Name IDGBFYVSNABVRJ-FLHWDFIUSA-N
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H76O20
InChI InChI=1S/C48H76O20/c1-21-29(52)31(54)34(57)39(64-21)67-37-24(18-49)65-38(36(59)33(37)56)63-19-25-30(53)32(55)35(58)40(66-25)68-42(62)48-15-13-43(2,41(60)61)17-23(48)22-7-8-27-44(3)11-10-28(51)45(4,20-50)26(44)9-12-47(27,6)46(22,5)14-16-48/h7,21,23-40,49-59H,8-20H2,1-6H3,(H,60,61)/t21-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,43-,44+,45+,46-,47-,48+/m1/s1
InChIKey IDGBFYVSNABVRJ-FLHWDFIUSA-N
Literature Reference Author M.MIYAKOSHI,Y.IDA,S.ISODA,J.SHOJI
Literature Reference Citation PHYTOCHEM.,34,1599(1993)
Literature Reference DOI 10.1016/S0031-9422(00)90853-7
Molecular Weight 973.119 g/mol
Solvent C5D5N
Source File Reference UWLU20788