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SCOPARIC-ACID-A-MONOACETATE;6-BENZOYL-12-METHYLOXYCARBONYL-LABDA-8(17),13-DIEN-18-OIC-ACID
SpectraBase Compound ID GGMYjStWclw
InChI InChI=1S/C29H38O6/c1-19(14-17-34-21(3)30)12-13-23-20(2)18-24(35-26(31)22-10-7-6-8-11-22)25-28(23,4)15-9-16-29(25,5)27(32)33/h6-8,10-11,14,23-25H,2,9,12-13,15-18H2,1,3-5H3,(H,32,33)/b19-14+/t23-,24-,25?,28-,29-/m1/s1
InChIKey QMMAHNNAAVSGCB-GQIHBALISA-N
Mol Weight 482.6 g/mol
Molecular Formula C29H38O6
Exact Mass 482.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuBPBlHtQ84
Name SCOPARIC-ACID-A-MONOACETATE;6-BENZOYL-12-METHYLOXYCARBONYL-LABDA-8(17),13-DIEN-18-OIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38O6
InChI InChI=1S/C29H38O6/c1-19(14-17-34-21(3)30)12-13-23-20(2)18-24(35-26(31)22-10-7-6-8-11-22)25-28(23,4)15-9-16-29(25,5)27(32)33/h6-8,10-11,14,23-25H,2,9,12-13,15-18H2,1,3-5H3,(H,32,33)/b19-14+/t23-,24-,25?,28-,29-/m1/s1
InChIKey QMMAHNNAAVSGCB-GQIHBALISA-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 482.617 g/mol
Solvent CDCl3
Source File Reference UWCS3303