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CHIKUSETSUSAPONIN-IVA-METHYLESTER
SpectraBase Compound ID 1FEnHTjGoQF
InChI InChI=1S/C43H68O14/c1-38(2)15-17-43(37(52)57-35-31(49)28(46)27(45)23(20-44)54-35)18-16-41(6)21(22(43)19-38)9-10-25-40(5)13-12-26(39(3,4)24(40)11-14-42(25,41)7)55-36-32(50)29(47)30(48)33(56-36)34(51)53-8/h9,22-33,35-36,44-50H,10-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28-,29-,30-,31+,32+,33-,35-,36+,40?,41?,42?,43-/m0/s1
InChIKey XPORLJWHBRUXGD-OJNZMATRSA-N
Mol Weight 809.0 g/mol
Molecular Formula C43H68O14
Exact Mass 808.460907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ETBBpIkqL6Z
Name OLEANOLIC_ACID-3-O-[BETA-D-GLUCURONOPYRANOSIDE-6-O-METHYLESTER]-28-O-BETA-D-GLUCOPYRANOSIDE;CHIKUSETSUSAPONIN_IVA_METHYLESTER
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H68O14
InChI InChI=1S/C43H68O14/c1-38(2)15-17-43(37(52)57-35-31(49)28(46)27(45)23(20-44)54-35)18-16-41(6)21(22(43)19-38)9-10-25-40(5)13-12-26(39(3,4)24(40)11-14-42(25,41)7)55-36-32(50)29(47)30(48)33(56-36)34(51)53-8/h9,22-33,35-36,44-50H,10-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28-,29-,30-,31+,32+,33-,35-,36+,40?,41?,42?,43-/m0/s1
InChIKey XPORLJWHBRUXGD-OJNZMATRSA-N
Literature Reference Author M.HU,K.OGAWA,Y.SASHIDA,P.G.XIAO
Literature Reference Citation PHYTOCHEM.,39,179(1995)
Literature Reference DOI 10.1016/0031-9422(94)00902-6
Molecular Weight 809.005 g/mol
Solvent C5D5N
Source File Reference UWMZ8988