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2.alpha.,3.beta.,30-Trihydroxy-olean-12-en-28-oic-acid,28-rhamno-glucosylester
SpectraBase Compound ID FDbUcdervt7
InChI InChI=1S/C42H68O14/c1-20-27(46)29(48)31(50)34(53-20)55-32-30(49)28(47)24(18-43)54-35(32)56-36(52)42-14-12-38(4,19-44)16-22(42)21-8-9-26-39(5)17-23(45)33(51)37(2,3)25(39)10-11-41(26,7)40(21,6)13-15-42/h8,20,22-35,43-51H,9-19H2,1-7H3/t20-,22-,23+,24+,25?,26?,27-,28+,29+,30-,31+,32+,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1
InChIKey WNQQRQILECUZEY-DGKYWDEVSA-N
Mol Weight 797.0 g/mol
Molecular Formula C42H68O14
Exact Mass 796.460907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VFgCBpLkpJ
Name 2-ALPHA,3-BETA,30-TRIHYDROXY-OLEAN-12-EN-28-OIC-ACID,28-RHAMNO-GLUCOSYLESTER
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H68O14
InChI InChI=1S/C42H68O14/c1-20-27(46)29(48)31(50)34(53-20)55-32-30(49)28(47)24(18-43)54-35(32)56-36(52)42-14-12-38(4,19-44)16-22(42)21-8-9-26-39(5)17-23(45)33(51)37(2,3)25(39)10-11-41(26,7)40(21,6)13-15-42/h8,20,22-35,43-51H,9-19H2,1-7H3/t20-,22-,23+,24+,25?,26?,27-,28+,29+,30-,31+,32+,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1
InChIKey WNQQRQILECUZEY-DGKYWDEVSA-N
Literature Reference Author H.INA,Y.OHTA,H.IIDA
Literature Reference Citation PHYTOCHEM.,24,2655(1985)
Literature Reference DOI 10.1016/S0031-9422(00)80687-1
Molecular Weight 796.994 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK313