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SECO-4,23-HYDROXY-OLEAN-12-EN-22-ONE-3-CARBOXYLIC-ACID
SpectraBase Compound ID 5r5eyloQg0o
InChI InChI=1S/C30H48O5/c1-25(2)16-20-19-8-9-21-27(4,12-11-24(33)34)22(30(7,35)18-31)10-13-29(21,6)28(19,5)15-14-26(20,3)23(32)17-25/h8,20-22,31,35H,9-18H2,1-7H3,(H,33,34)/t20-,21?,22?,26+,27+,28+,29+,30?/m0/s1
InChIKey VYVQCQBUBKNGGO-NNKHYHIKSA-N
Mol Weight 488.7 g/mol
Molecular Formula C30H48O5
Exact Mass 488.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7mc7wFFEWNY
Name SECO-4,23-HYDROXY-OLEAN-12-EN-22-ONE-3-CARBOXYLIC-ACID
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O5
InChI InChI=1S/C30H48O5/c1-25(2)16-20-19-8-9-21-27(4,12-11-24(33)34)22(30(7,35)18-31)10-13-29(21,6)28(19,5)15-14-26(20,3)23(32)17-25/h8,20-22,31,35H,9-18H2,1-7H3,(H,33,34)/t20-,21?,22?,26+,27+,28+,29+,30?/m0/s1
InChIKey VYVQCQBUBKNGGO-NNKHYHIKSA-N
Literature Reference Author C.MAUL,I.SATTLER,M.ZERLIN,C.HINZE,C.KOCH,A.MAIER,S.GRABLEY,R .THIERICKE
Literature Reference Citation J.ANTIBIOTICS,52,1124(1999)
Literature Reference DOI 10.7164/antibiotics.52.1124
Molecular Weight 488.708 g/mol
Solvent CD3OD
Source File Reference UWRU1104