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SCOPARIC-ACID-B;6-BENZOYL-14,15-DINOR-13-OXO-8(17)-LABDAN-18-OIC-ACID
SpectraBase Compound ID 7TS41viIuQN
InChI InChI=1S/C25H32O5/c1-16-15-20(30-22(27)18-9-6-5-7-10-18)21-24(3,19(16)12-11-17(2)26)13-8-14-25(21,4)23(28)29/h5-7,9-10,19-21H,1,8,11-15H2,2-4H3,(H,28,29)/t19-,20-,21?,24-,25-/m1/s1
InChIKey AHUXFULECQULHT-JLCHKCATSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HUSBuU4le5J
Name SCOPARIC-ACID-B;6-BENZOYL-14,15-DINOR-13-OXO-8(17)-LABDAN-18-OIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-16-15-20(30-22(27)18-9-6-5-7-10-18)21-24(3,19(16)12-11-17(2)26)13-8-14-25(21,4)23(28)29/h5-7,9-10,19-21H,1,8,11-15H2,2-4H3,(H,28,29)/t19-,20-,21?,24-,25-/m1/s1
InChIKey AHUXFULECQULHT-JLCHKCATSA-N
Literature Reference Author T.HAYASHI,M.KAWASAKI,K.OKAMURA,Y.TAMADA,N.MORITA,Y.TEZUKA,T. KIKUCHI,Y.MIWA,T.TAG
Literature Reference Citation J.NAT.PROD.,55,1748(1992)
Literature Reference DOI 10.1021/np50090a005
Molecular Weight 412.526 g/mol
Solvent CDCl3
Source File Reference UWCS3300