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CONFORMER-A-OF-AUREOBASIDIN-A
SpectraBase Compound ID 5zL88IrhoNO
InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38?,39-,42-,43-,44-,45-,46-,47-,48-,49?,50+/m0/s1
InChIKey RLMLFADXHJLPSQ-UHVCGWIBSA-N
Mol Weight 1101.4 g/mol
Molecular Formula C60H92N8O11
Exact Mass 1100.688556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1NnBOvtjbI
Name CONFORMER-A-OF-AUREOBASIDIN-A
Compound Number COMFORMER-A-OF-#1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H92N8O11
InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38?,39-,42-,43-,44-,45-,46-,47-,48-,49?,50+/m0/s1
InChIKey RLMLFADXHJLPSQ-UHVCGWIBSA-N
Literature Reference Author K.IKAI,K.SHIOMI,K.TAKESAKO,I.KATO,H.NAGANAWA
Literature Reference Citation J.ANTIBIOTICS,44,1199(1991)
Literature Reference DOI 10.7164/antibiotics.44.1199
Molecular Weight 1101.437 g/mol
Sample ID 66587
Solvent CDCl3