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28-O-[RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER
SpectraBase Compound ID 7hvmbDNuhKy
InChI InChI=1S/C41H66O12/c1-20-28(45)30(47)31(48)33(51-20)52-32-29(46)23(42)19-50-34(32)53-35(49)41-16-15-36(2,3)17-22(41)21-9-10-25-38(6)13-12-26(43)37(4,5)24(38)11-14-39(25,7)40(21,8)18-27(41)44/h9,20,22-34,42-48H,10-19H2,1-8H3/t20-,22?,23-,24?,25?,26-,27+,28-,29-,30+,31+,32+,33-,34-,38-,39+,40+,41+/m0/s1
InChIKey CYTKBOVHHQTZFO-QAKNWBEMSA-N
Mol Weight 751.0 g/mol
Molecular Formula C41H66O12
Exact Mass 750.455428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUDYakRWLxa
Name 28-O-[RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H66O12
InChI InChI=1S/C41H66O12/c1-20-28(45)30(47)31(48)33(51-20)52-32-29(46)23(42)19-50-34(32)53-35(49)41-16-15-36(2,3)17-22(41)21-9-10-25-38(6)13-12-26(43)37(4,5)24(38)11-14-39(25,7)40(21,8)18-27(41)44/h9,20,22-34,42-48H,10-19H2,1-8H3/t20-,22?,23-,24?,25?,26-,27+,28-,29-,30+,31+,32+,33-,34-,38-,39+,40+,41+/m0/s1
InChIKey CYTKBOVHHQTZFO-QAKNWBEMSA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 750.968 g/mol
Solvent C5D5N
Source File Reference UWVN1020