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#4;OTOGIRININ-D;8-BENZOYL-9,9-DIMETHYL-1-[(E)-3,7-DIMETHYL-2,6-OCTADIENYL]-10-(3-METHYL-2-BUTENYL)-4-(1-HYDROXY-1-METHYLETHYL)-3-OXATRICYCLO-[6,3,1,0(2,6)]-DOD

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#4;OTOGIRININ-D;8-BENZOYL-9,9-DIMETHYL-1-[(E)-3,7-DIMETHYL-2,6-OCTADIENYL]-10-(3-METHYL-2-BUTENYL)-4-(1-HYDROXY-1-METHYLETHYL)-3-OXATRICYCLO-[6,3,1,0(2,6)]-DOD
SpectraBase Compound ID 2fUyKuiNSGK
InChI InChI=1S/C38H50O5/c1-24(2)14-13-15-26(5)20-21-37-23-28(19-18-25(3)4)35(6,7)38(34(37)41,31(39)27-16-11-10-12-17-27)32(40)29-22-30(36(8,9)42)43-33(29)37/h10-12,14,16-18,20,28,30,42H,13,15,19,21-23H2,1-9H3/b26-20+/t28-,30?,37-,38+/m1/s1
InChIKey CFVAHKKFAIMHEY-XWUJQRLESA-N
Mol Weight 586.8 g/mol
Molecular Formula C38H50O5
Exact Mass 586.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7NlNB52BLV
Name #4;OTOGIRININ-D;8-BENZOYL-9,9-DIMETHYL-1-[(E)-3,7-DIMETHYL-2,6-OCTADIENYL]-10-(3-METHYL-2-BUTENYL)-4-(1-HYDROXY-1-METHYLETHYL)-3-OXATRICYCLO-[6,3,1,0(2,6)]-DOD
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H50O5
InChI InChI=1S/C38H50O5/c1-24(2)14-13-15-26(5)20-21-37-23-28(19-18-25(3)4)35(6,7)38(34(37)41,31(39)27-16-11-10-12-17-27)32(40)29-22-30(36(8,9)42)43-33(29)37/h10-12,14,16-18,20,28,30,42H,13,15,19,21-23H2,1-9H3/b26-20+/t28-,30?,37-,38+/m1/s1
InChIKey CFVAHKKFAIMHEY-XWUJQRLESA-N
Literature Reference Author Y.ISHIDA,O.SHIROTA,S.SEKITA,K.SOMEYA,F.TOKITA,T.NAKANE,M.KUR OYANAGI
Literature Reference Citation CHEM.PHARM.BULL.,58,336(2010)
Literature Reference DOI 10.1248/cpb.58.336
Molecular Weight 586.812 g/mol
Sample ID 3433
Solvent CDCl3