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1-O-ENDOCROTIN-2-HYDROXY-3-O-TRIPHENYLMETHANE-GLYCEROL
SpectraBase Compound ID JnbdcdJRrSk
InChI InChI=1S/C38H30O9/c1-22-17-28-33(36(44)32-29(34(28)42)18-26(39)19-30(32)41)35(43)31(22)37(45)46-20-27(40)21-47-38(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-19,27,39-41,43H,20-21H2,1H3/t27-/m0/s1
InChIKey ZIEQTWWAPNZABN-MHZLTWQESA-N
Mol Weight 630.6 g/mol
Molecular Formula C38H30O9
Exact Mass 630.188983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrWPgqHkmv4
Name 1-O-ENDOCROTIN-2-HYDROXY-3-O-TRIPHENYLMETHANE-GLYCEROL
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H30O9
InChI InChI=1S/C38H30O9/c1-22-17-28-33(36(44)32-29(34(28)42)18-26(39)19-30(32)41)35(43)31(22)37(45)46-20-27(40)21-47-38(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-19,27,39-41,43H,20-21H2,1H3/t27-/m0/s1
InChIKey ZIEQTWWAPNZABN-MHZLTWQESA-N
Literature Reference Author A.SEGAWA,Y.MIYAICHI,T.TOMIMORI,F.KIUCHI,T.OHTA
Literature Reference Citation CHEM.PHARM.BULL.,47,1404(1999)
Literature Reference DOI 10.1248/cpb.47.1404
Molecular Weight 630.651 g/mol
Solvent DMSO-D6
Source File Reference UWLU8303