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METHYL-7-ALPHA-HYDROPEROXY-13-ALPHA-HYDROXYABIET-8(14)-ENOATE;METHYL-[1R-(1-ALPHA,4A-BETA,4B-ALPHA,7-ALPHA,9-ALPHA,10A-ALPHA)]-1,2,3,4,4A,4B
SpectraBase Compound ID G7qqKQzP3bn
InChI InChI=1S/C21H34O5/c1-13(2)21(23)10-7-15-14(12-21)16(26-24)11-17-19(15,3)8-6-9-20(17,4)18(22)25-5/h12-13,15-17,23-24H,6-11H2,1-5H3/t15?,16-,17?,19-,20-,21+/m1/s1
InChIKey SIIFCQTVDHDXCW-BVZPTBNASA-N
Mol Weight 366.5 g/mol
Molecular Formula C21H34O5
Exact Mass 366.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JxAOGky9iA0
Name METHYL-7-ALPHA-HYDROPEROXY-13-ALPHA-HYDROXYABIET-8(14)-ENOATE;METHYL-[1R-(1-ALPHA,4A-BETA,4B-ALPHA,7-ALPHA,9-ALPHA,10A-ALPHA)]-1,2,3,4,4A,4B
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34O5
InChI InChI=1S/C21H34O5/c1-13(2)21(23)10-7-15-14(12-21)16(26-24)11-17-19(15,3)8-6-9-20(17,4)18(22)25-5/h12-13,15-17,23-24H,6-11H2,1-5H3/t15?,16-,17?,19-,20-,21+/m1/s1
InChIKey SIIFCQTVDHDXCW-BVZPTBNASA-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 366.498 g/mol
Solvent CDCl3
Source File Reference UWSI7114