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3'',3''',4'',4'''-Tetra-O-acetyl-11,11'-di-O-methyl-octahydro-elaiophylin
SpectraBase Compound ID LiYJWtrHjJB
InChI InChI=1S/C64H108O22/c1-19-47-39(9)85-63(73-17,31-51(47)81-55-29-49(77-43(13)65)61(41(11)75-55)79-45(15)67)37(7)57(71)35(5)59-33(3)25-21-23-28-54(70)84-60(34(4)26-22-24-27-53(69)83-59)36(6)58(72)38(8)64(74-18)32-52(48(20-2)40(10)86-64)82-56-30-50(78-44(14)66)62(42(12)76-56)80-46(16)68/h33-42,47-52,55-62,71-72H,19-32H2,1-18H3/t33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,47?,48?,49?,50?,51?,52?,55?,56?,57?,58?,59?,60?,61?,62?,63-,64?/m0/s1
InChIKey CSJJSRHIXREARI-GZBVTVBRSA-N
Mol Weight 1229.5 g/mol
Molecular Formula C64H108O22
Exact Mass 1228.733225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41YIrdhDG4u
Name 3'',3''',4'',4'''-Tetra-O-acetyl-11,11'-di-O-methyl-octahydro-elaiophylin
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C64H108O22
InChI InChI=1S/C64H108O22/c1-19-47-39(9)85-63(73-17,31-51(47)81-55-29-49(77-43(13)65)61(41(11)75-55)79-45(15)67)37(7)57(71)35(5)59-33(3)25-21-23-28-54(70)84-60(34(4)26-22-24-27-53(69)83-59)36(6)58(72)38(8)64(74-18)32-52(48(20-2)40(10)86-64)82-56-30-50(78-44(14)66)62(42(12)76-56)80-46(16)68/h33-42,47-52,55-62,71-72H,19-32H2,1-18H3/t33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,47?,48?,49?,50?,51?,52?,55?,56?,57?,58?,59?,60?,61?,62?,63-,64?/m0/s1
InChIKey CSJJSRHIXREARI-GZBVTVBRSA-N
Instrument Name Bruker AM-300
Literature Reference P. Hamman, G. Kretzschmar, Magn. Res. Chem. 29, 667 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5