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12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman
SpectraBase Compound ID 6Hll6fR7CVk
InChI InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)
InChIKey YDOTUXAWKBPQJW-UHFFFAOYSA-N
Mol Weight 575.7 g/mol
Molecular Formula C32H41N5O5
Exact Mass 575.310769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6WGxKaiyVsH
Name
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Formula C32H41N5O5
InChI InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)
InChIKey YDOTUXAWKBPQJW-UHFFFAOYSA-N
Instrument Name VARIAN XL-100
NMR Standard TMS
Solvent DMSO