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#3;1-ALPHA,3-BETA-DIHYDROXYIMBERBIC-ACID-23-O-ALPHA-L-3,4-DIACETYL-RHAMNOPYRANOSIDE;1-ALPHA,3-BETA,23-TRIHYDROXY-OLEAN-12-EN-29-OIC-ACID-23-O-ALPHA-[3,4-DIACET
SpectraBase Compound ID LVGtJeD38cM
InChI InChI=1S/C40H62O11/c1-21-31(50-22(2)41)32(51-23(3)42)30(45)33(49-21)48-20-37(6)26-12-13-39(8)27(40(26,9)29(44)18-28(37)43)11-10-24-25-19-36(5,34(46)47)15-14-35(25,4)16-17-38(24,39)7/h10,21,25-33,43-45H,11-20H2,1-9H3,(H,46,47)/t21-,25-,26-,27-,28-,29-,30+,31-,32-,33+,35+,36+,37-,38+,39+,40-/m0/s1
InChIKey PNIWMDGKYRCTQD-ZLBBEDGDSA-N
Mol Weight 718.9 g/mol
Molecular Formula C40H62O11
Exact Mass 718.429213 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kbhm7P8Ixvq
Name #3;1-ALPHA,3-BETA-DIHYDROXYIMBERBIC-ACID-23-O-ALPHA-L-3,4-DIACETYL-RHAMNOPYRANOSIDE;1-ALPHA,3-BETA,23-TRIHYDROXY-OLEAN-12-EN-29-OIC-ACID-23-O-ALPHA-[3,4-DIACET
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H62O11
InChI InChI=1S/C40H62O11/c1-21-31(50-22(2)41)32(51-23(3)42)30(45)33(49-21)48-20-37(6)26-12-13-39(8)27(40(26,9)29(44)18-28(37)43)11-10-24-25-19-36(5,34(46)47)15-14-35(25,4)16-17-38(24,39)7/h10,21,25-33,43-45H,11-20H2,1-9H3,(H,46,47)/t21-,25-,26-,27-,28-,29-,30+,31-,32-,33+,35+,36+,37-,38+,39+,40-/m0/s1
InChIKey PNIWMDGKYRCTQD-ZLBBEDGDSA-N
Literature Reference Author D.R.KATERERE,A.I.GRAY,R.J.NASH,R.D.WAIGH
Literature Reference Citation PHYTOCHEM.,63,81(2003)
Literature Reference DOI 10.1016/S0031-9422(02)00726-4
Molecular Weight 718.926 g/mol
Solvent C5D5N
Source File Reference UWLU29688