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REGEOL-B;2-ALPHA,6-BETA-DIHYDROXY-3-OXO-24-NOR-D:A-FRIEDOOLEANA-4-ENE-29-OIC-ACID
SpectraBase Compound ID KbFVDnCpkmL
InChI InChI=1S/C29H44O5/c1-16-22-17(13-19(31)23(16)32)27(4)10-12-29(6)21-15-26(3,24(33)34)8-7-25(21,2)9-11-28(29,5)20(27)14-18(22)30/h17-21,30-31H,7-15H2,1-6H3,(H,33,34)/t17-,18+,19+,20-,21+,25+,26+,27-,28+,29-/m0/s1
InChIKey BDJSFPZAYZYESM-RONCNXMZSA-N
Mol Weight 472.7 g/mol
Molecular Formula C29H44O5
Exact Mass 472.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I720rio2z9c
Name REGEOL-B;2-ALPHA,6-BETA-DIHYDROXY-3-OXO-24-NOR-D:A-FRIEDOOLEANA-4-ENE-29-OIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O5
InChI InChI=1S/C29H44O5/c1-16-22-17(13-19(31)23(16)32)27(4)10-12-29(6)21-15-26(3,24(33)34)8-7-25(21,2)9-11-28(29,5)20(27)14-18(22)30/h17-21,30-31H,7-15H2,1-6H3,(H,33,34)/t17-,18+,19+,20-,21+,25+,26+,27-,28+,29-/m0/s1
InChIKey BDJSFPZAYZYESM-RONCNXMZSA-N
Literature Reference Author Y.TAKAISHI,N.WARIISHI,H.TATEISHI,K.KAWAZOE,K.NAKANO,Y.ONO,H. TOKUDA,H.NISHINO,A.I
Literature Reference Citation PHYTOCHEM.,45,969(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00859-X
Molecular Weight 472.665 g/mol
Solvent C5D5N
Source File Reference UWPA1064