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ACETYL-HELIOTROPAMIDE;C0MPOUND-#1A

View entire compound with spectra: 1 NMR

ACETYL-HELIOTROPAMIDE;C0MPOUND-#1A
SpectraBase Compound ID EKFQdnQsd5J
InChI InChI=1S/C44H44N2O12/c1-26(47)55-34-13-7-30(8-14-34)19-21-45-43(51)41-36(23-32-11-17-37(57-28(3)49)39(24-32)53-5)44(52)46(22-20-31-9-15-35(16-10-31)56-27(2)48)42(41)33-12-18-38(58-29(4)50)40(25-33)54-6/h7-18,23-25,41-42H,19-22H2,1-6H3,(H,45,51)/b36-23-/t41-,42+/m0/s1
InChIKey YYRWZPCCRVDWEU-QHBRKURASA-N
Mol Weight 792.8 g/mol
Molecular Formula C44H44N2O12
Exact Mass 792.289425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Xarhk00qip
Name ACETYL-HELIOTROPAMIDE;C0MPOUND-#1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H44N2O12
InChI InChI=1S/C44H44N2O12/c1-26(47)55-34-13-7-30(8-14-34)19-21-45-43(51)41-36(23-32-11-17-37(57-28(3)49)39(24-32)53-5)44(52)46(22-20-31-9-15-35(16-10-31)56-27(2)48)42(41)33-12-18-38(58-29(4)50)40(25-33)54-6/h7-18,23-25,41-42H,19-22H2,1-6H3,(H,45,51)/b36-23-/t41-,42+/m0/s1
InChIKey YYRWZPCCRVDWEU-QHBRKURASA-N
Literature Reference Author A.GUNTERN,J.R.IOSET,E.F.QUEIROZ,P.SANDOR,C.M.FOGGIN,K.HOSTET TMANN
Literature Reference Citation J.NAT.PROD.,66,1550(2003)
Literature Reference DOI 10.1021/np0302495
Molecular Weight 792.840 g/mol
Solvent CDCl3
Source File Reference UWKP3155