John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=16bNi16Wvs SpectraBase Spectrum ID=1BOXRQ3JEOI

(accessed ).
ACTAMYCIN
SpectraBase Compound ID 16bNi16Wvs
InChI InChI=1S/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47,50H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9+,12-10-,16-14+,21-13-,24-17-/t20-,22+,23+,26+,28-,34+/m0/s1
InChIKey ODRXJBTZWPWLEA-BESDBEALSA-N
Mol Weight 687.8 g/mol
Molecular Formula C39H45NO10
Exact Mass 687.304347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1BOXRQ3JEOI
Name ACTAMYCIN
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H45NO10
InChI InChI=1S/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47,50H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9+,12-10-,16-14+,21-13-,24-17-/t20-,22+,23+,26+,28-,34+/m0/s1
InChIKey ODRXJBTZWPWLEA-BESDBEALSA-N
Literature Reference Author A.M.HOOPER,R.W.RICKARDS
Literature Reference Citation J.ANTIBIOTICS,51,958(1998)
Literature Reference DOI 10.7164/antibiotics.51.958
Molecular Weight 687.787 g/mol
Solvent Unknown
Source File Reference UWKP684
SpectraBase Batch ID Czw97Mf1T4M