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acetic acid [(1R)-7-[(3S,9S,12R)-3-(benzyl)-2,5,8,11-tetraketo-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]-2-keto-1-methyl-heptyl] ester
SpectraBase Compound ID 51ca994zAJL
InChI InChI=1S/C30H42N4O7/c1-19(41-20(2)35)25(36)16-10-6-9-14-22-26(37)33-30(3,4)29(40)32-23(18-21-12-7-5-8-13-21)28(39)34-17-11-15-24(34)27(38)31-22/h5,7-8,12-13,19,22-24H,6,9-11,14-18H2,1-4H3,(H,31,38)(H,32,40)(H,33,37)/t19-,22+,23+,24-/m1/s1
InChIKey DGYUADDUGZTHSO-QLBRKBSLSA-N
Mol Weight 570.7 g/mol
Molecular Formula C30H42N4O7
Exact Mass 570.30535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GMyxkT3wU08
Name acetic acid [(1R)-7-[(3S,9S,12R)-3-(benzyl)-2,5,8,11-tetraketo-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]-2-keto-1-methyl-heptyl] ester
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42N4O7
InChI InChI=1S/C30H42N4O7/c1-19(41-20(2)35)25(36)16-10-6-9-14-22-26(37)33-30(3,4)29(40)32-23(18-21-12-7-5-8-13-21)28(39)34-17-11-15-24(34)27(38)31-22/h5,7-8,12-13,19,22-24H,6,9-11,14-18H2,1-4H3,(H,31,38)(H,32,40)(H,33,37)/t19-,22+,23+,24-/m1/s1
InChIKey DGYUADDUGZTHSO-QLBRKBSLSA-N
Literature Reference Author H.TANI,Y.FUJII,H.NAKAJIMA
Literature Reference Citation PHYTOCHEM.,58,305(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00209-6
Molecular Weight 570.686 g/mol
Solvent CDCl3
Source File Reference UWLU2796