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2-ALPHA,3-ALPHA,24-TRIHYDROXY-OLEAN-12-EN-28-OIC-ACID-METHYLESTER
SpectraBase Compound ID IhbkbxS7wQt
InChI InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3/t20-,21+,22+,23+,24+,27-,28+,29+,30+,31-/m0/s1
InChIKey PQQIABJSQBQEFM-RCALZQPQSA-N
Mol Weight 502.7 g/mol
Molecular Formula C31H50O5
Exact Mass 502.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82NPTCaYgNg
Name 2-ALPHA,3-ALPHA,24-TRIHYDROXY-OLEAN-12-EN-28-OIC-ACID-METHYLESTER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O5
InChI InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3/t20-,21+,22+,23+,24+,27-,28+,29+,30+,31-/m0/s1
InChIKey PQQIABJSQBQEFM-RCALZQPQSA-N
Literature Reference Author Z.WANG,Y.ZHAO,B.WANG,J.LI,T.AI,Y.CHEN
Literature Reference Citation J.CHIN.PHARM.SCI.,9,128(2000)
Molecular Weight 502.735 g/mol
Solvent C5D5N
Source File Reference UWBT7369