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3-ALPHA,24,29-TRIHYDROXYOLEAN-12-EN-28-OIC_ACID

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3-ALPHA,24,29-TRIHYDROXYOLEAN-12-EN-28-OIC_ACID
SpectraBase Compound ID 8IHCky1bP7x
InChI InChI=1S/C30H48O5/c1-25(17-31)12-14-30(24(34)35)15-13-28(4)19(20(30)16-25)6-7-22-26(2)10-9-23(33)27(3,18-32)21(26)8-11-29(22,28)5/h6,20-23,31-33H,7-18H2,1-5H3,(H,34,35)/t20-,21+,22+,23+,25+,26-,27+,28+,29+,30-/m0/s1
InChIKey LQETVSULLNKTKF-YSKPPUCTSA-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 Jl6mgplwE3R
Name 3-ALPHA,24,29-TRIHYDROXYOLEAN-12-EN-28-OIC_ACID
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O5
InChI InChI=1S/C30H48O5/c1-25(17-31)12-14-30(24(34)35)15-13-28(4)19(20(30)16-25)6-7-22-26(2)10-9-23(33)27(3,18-32)21(26)8-11-29(22,28)5/h6,20-23,31-33H,7-18H2,1-5H3,(H,34,35)/t20-,21+,22+,23+,25+,26-,27+,28+,29+,30-/m0/s1
InChIKey LQETVSULLNKTKF-YSKPPUCTSA-N
Literature Reference Author P.T.THUONG,C.H.LEE,T.T.DAO,P.H.NGUYEN,W.G.KIM,S.J.LEE,W.K.OH
Literature Reference Citation J.NAT.PROD.,71,1775(2008)
Literature Reference DOI 10.1021/np800298w
Molecular Weight 488.708 g/mol
Sample ID 29207
Solvent C5D5N