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VERNOLIDE-D;8-ALPHA-(4-HYDROXY-TIGLOYLOXY)-HIRSUTINOLIDE-13-O-ACETATE
SpectraBase Compound ID FJsBa2rwwUa
InChI InChI=1S/C22H28O9/c1-12(5-8-23)19(25)29-16-9-13(2)22(27)7-6-21(4,31-22)10-17-18(16)15(20(26)30-17)11-28-14(3)24/h5,10,13,16,23,27H,6-9,11H2,1-4H3/b12-5+,17-10+/t13-,16+,21+,22-/m1/s1
InChIKey BGILEQXHGMMSMV-RCFVEXRVSA-N
Mol Weight 436.46 g/mol
Molecular Formula C22H28O9
Exact Mass 436.173332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83IJX7oLa9t
Name VERNOLIDE-D;8-ALPHA-(4-HYDROXY-TIGLOYLOXY)-HIRSUTINOLIDE-13-O-ACETATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O9
InChI InChI=1S/C22H28O9/c1-12(5-8-23)19(25)29-16-9-13(2)22(27)7-6-21(4,31-22)10-17-18(16)15(20(26)30-17)11-28-14(3)24/h5,10,13,16,23,27H,6-9,11H2,1-4H3/b12-5+,17-10+/t13-,16+,21+,22-/m1/s1
InChIKey BGILEQXHGMMSMV-RCFVEXRVSA-N
Literature Reference Author A.CHEA,S.HOUT,C.LONG,L.MARCOURT,R.FAURE,N.AZAS,R.ELIAS
Literature Reference Citation CHEM.PHARM.BULL.,54,1437(2006)
Literature Reference DOI 10.1248/cpb.54.1437
Molecular Weight 436.459 g/mol
Sample ID 55272
Solvent CDCl3