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BEILSCHMIEDIC_ACID_I
SpectraBase Compound ID CeG8g5IV5GX
InChI InChI=1S/C27H30O3/c28-24-16-22(27(29)30)20-14-13-19-18(21-15-23(24)26(20)25(19)21)12-8-3-1-2-5-9-17-10-6-4-7-11-17/h1-2,4-7,9-11,13-14,16,18-21,23-26,28H,3,8,12,15H2,(H,29,30)/b2-1+,9-5+/t18-,19-,20+,21+,23+,24+,25-,26+/m1/s1
InChIKey YUFZJFBMKNIVGN-SQULQPEYSA-N
Mol Weight 402.53 g/mol
Molecular Formula C27H30O3
Exact Mass 402.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7G1znPyNSjQ
Name BEILSCHMIEDIC_ACID_I
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O3
InChI InChI=1S/C27H30O3/c28-24-16-22(27(29)30)20-14-13-19-18(21-15-23(24)26(20)25(19)21)12-8-3-1-2-5-9-17-10-6-4-7-11-17/h1-2,4-7,9-11,13-14,16,18-21,23-26,28H,3,8,12,15H2,(H,29,30)/b2-1+,9-5+/t18-,19-,20+,21+,23+,24+,25-,26+/m1/s1
InChIKey YUFZJFBMKNIVGN-SQULQPEYSA-N
Literature Reference Author R.B.WILLIAMS,S.M.MARTIN,J.F.HU,V.L.NORMAN,M.G.GOERING,S.LOSS ,M.ONEIL-JOHNSON,G.R
Literature Reference Citation J.NAT.PROD.,75,1319(2012)
Literature Reference DOI 10.1021/np300241d
Molecular Weight 402.533 g/mol
Sample ID 41271
Solvent CD3OD