John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Lcvnd5sXrlh SpectraBase Spectrum ID=7meoyXrEBNq

(accessed ).
3-BETA-O-TRANS-CAFFEOYL-2-ALPHA-HYDROXY-URS-12-EN-28-OIC_ACID
SpectraBase Compound ID Lcvnd5sXrlh
InChI InChI=1S/C39H54O7/c1-22-14-17-39(34(44)45)19-18-37(6)25(32(39)23(22)2)10-12-30-36(5)21-28(42)33(35(3,4)29(36)15-16-38(30,37)7)46-31(43)13-9-24-8-11-26(40)27(41)20-24/h8-11,13,20,22-23,28-30,32-33,40-42H,12,14-19,21H2,1-7H3,(H,44,45)/b13-9+/t22-,23+,28-,29+,30-,32+,33+,36+,37-,38-,39+/m1/s1
InChIKey UBXXINDHMLSJFE-OOYBQQIGSA-N
Mol Weight 634.9 g/mol
Molecular Formula C39H54O7
Exact Mass 634.386954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7meoyXrEBNq
Name 3-BETA-O-TRANS-CAFFEOYL-2-ALPHA-HYDROXY-URS-12-EN-28-OIC_ACID
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H54O7
InChI InChI=1S/C39H54O7/c1-22-14-17-39(34(44)45)19-18-37(6)25(32(39)23(22)2)10-12-30-36(5)21-28(42)33(35(3,4)29(36)15-16-38(30,37)7)46-31(43)13-9-24-8-11-26(40)27(41)20-24/h8-11,13,20,22-23,28-30,32-33,40-42H,12,14-19,21H2,1-7H3,(H,44,45)/b13-9+/t22-,23+,28-,29+,30-,32+,33+,36+,37-,38-,39+/m1/s1
InChIKey UBXXINDHMLSJFE-OOYBQQIGSA-N
Literature Reference Author X.RUDIYANSYAH,M.J.GARSON
Literature Reference Citation J.NAT.PROD.,69,1218(2006)
Literature Reference DOI 10.1021/np050553t
Molecular Weight 634.854 g/mol
Solvent CD3OD
Source File Reference UWMZ15607
SpectraBase Batch ID GWwr9Yaj4jy