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ILEXOLIC-ACID-B;3-BETA,19-ALPHA-DIHYDROXY-OLEAN-12-ENE-23,28-DIOIC-ACID
SpectraBase Compound ID K2qbGt0tCfH
InChI InChI=1S/C30H46O6/c1-25(2)13-15-30(24(35)36)16-14-27(4)17(21(30)22(25)32)7-8-18-26(3)11-10-20(31)29(6,23(33)34)19(26)9-12-28(18,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21-,22+,26-,27-,28-,29+,30+/m1/s1
InChIKey DVZQJJHIDXRSFW-VZCJQHKYSA-N
Mol Weight 502.7 g/mol
Molecular Formula C30H46O6
Exact Mass 502.329439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5grIwkBYRes
Name ILEXOLIC-ACID-B;3-BETA,19-ALPHA-DIHYDROXY-OLEAN-12-EN-23,28-DIOIC-ACID
Compound Number 47
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O6
InChI InChI=1S/C30H46O6/c1-25(2)13-15-30(24(35)36)16-14-27(4)17(21(30)22(25)32)7-8-18-26(3)11-10-20(31)29(6,23(33)34)19(26)9-12-28(18,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21-,22+,26-,27-,28-,29+,30+/m1/s1
InChIKey DVZQJJHIDXRSFW-VZCJQHKYSA-N
Literature Reference Author S.B.MAHATO,A.P.KUNDU
Literature Reference Citation PHYTOCHEM.,37,1517(1994)
Literature Reference DOI 10.1016/S0031-9422(00)89569-2
Molecular Weight 502.692 g/mol
Solvent C5D5N
Source File Reference UWMS5147