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MITISSIMOL_A_LINOLEATE;9,12-OCTADECADIENOIC_ESTER_OF_3-E,6-E,10-E-HUMULATRIEN-1-ALPHA-OL-5-ONE
SpectraBase Compound ID 7tW8eQTv41A
InChI InChI=1S/C33H52O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-32(35)36-31-27-28(2)22-21-23-29(3)30(34)25-26-33(31,4)5/h10-11,13-14,23,25-27,31H,6-9,12,15-22,24H2,1-5H3/b11-10-,14-13-,26-25+,28-27+,29-23+/t31-/m1/s1
InChIKey RVTIHKZBOYUZMJ-OZWDTECOSA-N
Mol Weight 496.8 g/mol
Molecular Formula C33H52O3
Exact Mass 496.391646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kIK13vC393
Name MITISSIMOL_A_LINOLEATE;9,12-OCTADECADIENOIC_ESTER_OF_3-E,6-E,10-E-HUMULATRIEN-1-ALPHA-OL-5-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H52O3
InChI InChI=1S/C33H52O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-32(35)36-31-27-28(2)22-21-23-29(3)30(34)25-26-33(31,4)5/h10-11,13-14,23,25-27,31H,6-9,12,15-22,24H2,1-5H3/b11-10-,14-13-,26-25+,28-27+,29-23+/t31-/m1/s1
InChIKey RVTIHKZBOYUZMJ-OZWDTECOSA-N
Literature Reference Author D.Q.LUO,Y.GAO,J.M.GAO,F.WANG,X.L.YANG,J.K.LIU
Literature Reference Citation J.NAT.PROD.,69,1354(2006)
Literature Reference DOI 10.1021/np060153l
Molecular Weight 496.774 g/mol
Solvent CDCl3
Source File Reference UWMZ15705