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#1;OTOGIRININ-A;1-BENZOYL-8,8-DIMETHYL-3-[(E)-3,7-DIMETHYL-2,6-OCTADIENIL]-5-(3-METHYL-2-BUTENYL)-6-(2-METHYL-1-PROPENYL)-TRICYCLO-[3,3,1,1(3,7)]-DECA-2,4,9-TR
SpectraBase Compound ID 6wa0CjysHpR
InChI InChI=1S/C38H48O4/c1-24(2)14-13-15-27(7)19-20-36-23-30-29(22-26(5)6)37(32(36)40,21-18-25(3)4)34(42)38(33(36)41,35(30,8)9)31(39)28-16-11-10-12-17-28/h10-12,14,16-19,22,29-30H,13,15,20-21,23H2,1-9H3/b27-19+/t29-,30+,36-,37-,38-/m1/s1
InChIKey VMEJLYNTYLRLLY-SAWDVXOHSA-N
Mol Weight 568.8 g/mol
Molecular Formula C38H48O4
Exact Mass 568.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JkvJSS0DHGh
Name #1;OTOGIRININ-A;1-BENZOYL-8,8-DIMETHYL-3-[(E)-3,7-DIMETHYL-2,6-OCTADIENIL]-5-(3-METHYL-2-BUTENYL)-6-(2-METHYL-1-PROPENYL)-TRICYCLO-[3,3,1,1(3,7)]-DECA-2,4,9-TR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H48O4
InChI InChI=1S/C38H48O4/c1-24(2)14-13-15-27(7)19-20-36-23-30-29(22-26(5)6)37(32(36)40,21-18-25(3)4)34(42)38(33(36)41,35(30,8)9)31(39)28-16-11-10-12-17-28/h10-12,14,16-19,22,29-30H,13,15,20-21,23H2,1-9H3/b27-19+/t29-,30+,36-,37-,38-/m1/s1
InChIKey VMEJLYNTYLRLLY-SAWDVXOHSA-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 568.797 g/mol
Sample ID 3430
Solvent CDCl3