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DIOSPYRIC_ACID_A;3-ALPHA,19-ALPHA-DIHYDROXY-URS-12,20-(30)-DIEN-24,28-DIOIC_ACID
SpectraBase Compound ID I8SnLoeJ3RD
InChI InChI=1S/C30H44O6/c1-17-9-14-30(24(34)35)16-15-26(3)18(22(30)29(17,6)36)7-8-19-25(2)12-11-21(31)28(5,23(32)33)20(25)10-13-27(19,26)4/h7,19-22,31,36H,1,8-16H2,2-6H3,(H,32,33)(H,34,35)/t19-,20-,21-,22-,25-,26-,27-,28-,29-,30+/m1/s1
InChIKey YKWCPLVNXDFCGG-WCAYKKAGSA-N
Mol Weight 500.7 g/mol
Molecular Formula C30H44O6
Exact Mass 500.313789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FapdLbvd2u8
Name DIOSPYRIC_ACID_A;3-ALPHA,19-ALPHA-DIHYDROXY-URS-12,20-(30)-DIEN-24,28-DIOIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44O6
InChI InChI=1S/C30H44O6/c1-17-9-14-30(24(34)35)16-15-26(3)18(22(30)29(17,6)36)7-8-19-25(2)12-11-21(31)28(5,23(32)33)20(25)10-13-27(19,26)4/h7,19-22,31,36H,1,8-16H2,2-6H3,(H,32,33)(H,34,35)/t19-,20-,21-,22-,25-,26-,27-,28-,29-,30+/m1/s1
InChIKey YKWCPLVNXDFCGG-WCAYKKAGSA-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 500.676 g/mol
Sample ID 29205
Solvent C5D5N