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#3;ACETIC-ACID-(6R,7R,8R,9R,12S,14S,15R,16R)-9,12-DIHYDROXY-6-ISOPROPYL-3,9-DIMETHYL-13-METHYLENE-15-OXA-TRICYCLO-[6.6.1.0(0,0)]-PENTADEC-3-EN-10-YL-ESTER
SpectraBase Compound ID ITr8UKVzfii
InChI InChI=1S/C22H34O5/c1-11(2)15-8-7-12(3)19-17-9-13(4)16(24)10-18(26-14(5)23)22(6,25)21(27-17)20(15)19/h7,11,15-21,24-25H,4,8-10H2,1-3,5-6H3/t15-,16+,17-,18+,19-,20-,21-,22-/m1/s1
InChIKey ZDDYROFVYQUUSR-DIHPLBBDSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbM3MWiqPvl
Name #3;ACETIC-ACID-(6R,7R,8R,9R,12S,14S,15R,16R)-9,12-DIHYDROXY-6-ISOPROPYL-3,9-DIMETHYL-13-METHYLENE-15-OXA-TRICYCLO-[6.6.1.0(0,0)]-PENTADEC-3-EN-10-YL-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-11(2)15-8-7-12(3)19-17-9-13(4)16(24)10-18(26-14(5)23)22(6,25)21(27-17)20(15)19/h7,11,15-21,24-25H,4,8-10H2,1-3,5-6H3/t15-,16+,17-,18+,19-,20-,21-,22-/m1/s1
InChIKey ZDDYROFVYQUUSR-DIHPLBBDSA-N
Literature Reference Author O.CORMINBOEUF,L.E.OVERMAN,L.D.PENNINGTON
Literature Reference Citation ORG.LETTERS,5,1543(2003)
Literature Reference DOI 10.1021/ol034384k
Molecular Weight 378.509 g/mol
Sample ID 38186
Solvent CDCl3