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APRATOXIN-A
SpectraBase Compound ID 77OsFUDUtbs
InChI InChI=1S/C45H69N5O8S/c1-13-27(3)38-43(55)50-20-14-15-35(50)44(56)58-37(45(7,8)9)22-26(2)21-36(51)29(5)40-46-32(25-59-40)23-28(4)39(52)47-34(24-31-16-18-33(57-12)19-17-31)42(54)48(10)30(6)41(53)49(38)11/h16-19,23,26-27,29-30,32,34-38,51H,13-15,20-22,24-25H2,1-12H3,(H,47,52)/b28-23+/t26-,27-,29-,30-,32-,34-,35-,36-,37-,38-/m0/s1
InChIKey KXUJXPZXILTXDA-CKIYSKEDSA-N
Mol Weight 840.1 g/mol
Molecular Formula C45H69N5O8S
Exact Mass 839.486685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cv5f4vNHoaC
Name APRATOXIN-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H69N5O8S
InChI InChI=1S/C45H69N5O8S/c1-13-27(3)38-43(55)50-20-14-15-35(50)44(56)58-37(45(7,8)9)22-26(2)21-36(51)29(5)40-46-32(25-59-40)23-28(4)39(52)47-34(24-31-16-18-33(57-12)19-17-31)42(54)48(10)30(6)41(53)49(38)11/h16-19,23,26-27,29-30,32,34-38,51H,13-15,20-22,24-25H2,1-12H3,(H,47,52)/b28-23+/t26-,27-,29-,30-,32-,34-,35-,36-,37-,38-/m0/s1
InChIKey KXUJXPZXILTXDA-CKIYSKEDSA-N
Literature Reference Author H.LUESCH,W.Y.YOSHIDA,R.E.MOORE,V.J.PAUL,T.H.CORBETT
Literature Reference Citation J.AM.CHEM.SOC.,123,5418(2001)
Literature Reference DOI 10.1021/ja010453j
Molecular Weight 840.132 g/mol
Solvent CDCl3
Source File Reference UWVN28157