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KEMPOPEPTIN_A;TRANS_CONFORMER
SpectraBase Compound ID 8xC8yYt2v00
InChI InChI=1S/C50H70N8O13/c1-26(2)23-35-43(63)51-34-20-21-39(62)58(48(34)68)38(25-31-13-10-9-11-14-31)49(69)56(8)37(24-32-16-18-33(61)19-17-32)45(65)53-40(27(3)4)50(70)71-29(6)42(47(67)52-35)55-46(66)41(28(5)59)54-44(64)36-15-12-22-57(36)30(7)60/h9-11,13-14,16-19,26-29,34-42,59,61-62H,12,15,20-25H2,1-8H3,(H,51,63)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t28-,29-,34+,35+,36+,37+,38+,39-,40+,41+,42+/m1/s1
InChIKey NGRWMTIDCSTQOO-XADDPKOHSA-N
Mol Weight 991.2 g/mol
Molecular Formula C50H70N8O13
Exact Mass 990.506234 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYEcAwHqWkg
Name KEMPOPEPTIN_A;TRANS_CONFORMER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H70N8O13
InChI InChI=1S/C50H70N8O13/c1-26(2)23-35-43(63)51-34-20-21-39(62)58(48(34)68)38(25-31-13-10-9-11-14-31)49(69)56(8)37(24-32-16-18-33(61)19-17-32)45(65)53-40(27(3)4)50(70)71-29(6)42(47(67)52-35)55-46(66)41(28(5)59)54-44(64)36-15-12-22-57(36)30(7)60/h9-11,13-14,16-19,26-29,34-42,59,61-62H,12,15,20-25H2,1-8H3,(H,51,63)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t28-,29-,34+,35+,36+,37+,38+,39-,40+,41+,42+/m1/s1
InChIKey NGRWMTIDCSTQOO-XADDPKOHSA-N
Literature Reference Author K.TAORI,V.J.PAUL,H.LUESCH
Literature Reference Citation J.NAT.PROD.,71,1625(2008)
Literature Reference DOI 10.1021/np8002172
Molecular Weight 991.152 g/mol
Sample ID 29069
Solvent DMSO-D6