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7-ALPHA,13-BETA-DIHYDROXYABIET-8(14)-ENOIC-ACID;[1R-(1-ALPHA,4A-BETA,4B-ALPHA,7-BETA,9-ALPHA,10A-ALPHA)]-1,2,3,4,4A,4B,5,6,7,9,10,10A-DODEC
SpectraBase Compound ID JNggpjrKQ3g
InChI InChI=1S/C20H32O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14-16,21,24H,5-10H2,1-4H3,(H,22,23)/t14?,15-,16?,18-,19-,20-/m1/s1
InChIKey MCLNTUSJKTXCRD-ITAHATRSSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4M3c0Amgyn
Name 7-ALPHA,13-BETA-DIHYDROXYABIET-8(14)-ENOIC-ACID;[1R-(1-ALPHA,4A-BETA,4B-ALPHA,7-BETA,9-ALPHA,10A-ALPHA)]-1,2,3,4,4A,4B,5,6,7,9,10,10A-DODEC
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14-16,21,24H,5-10H2,1-4H3,(H,22,23)/t14?,15-,16?,18-,19-,20-/m1/s1
InChIKey MCLNTUSJKTXCRD-ITAHATRSSA-N
Literature Reference Author S.PRINZ,U.MUELLNER,J.HEILMANN,K.WINKELMANN,O.STICHER,E.HASLI NGER,A.HUEFNER
Literature Reference Citation J.NAT.PROD.,65,1530(2002)
Literature Reference DOI 10.1021/np010656l
Molecular Weight 336.472 g/mol
Solvent CDCl3
Source File Reference UWSI7116