| SpectraBase Compound ID | 3oVcGiU0QAt |
|---|---|
| InChI | InChI=1S/C64H100O22/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/h21-28,33-42,47-52,55-62,71-72H,19-20,29-32H2,1-18H3/b25-21+,26-22+,27-24+,28-23+/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 | CIYYDGBKTYXVMH-VYGSVTCUSA-N |
| Mol Weight | 1221.5 g/mol |
| Molecular Formula | C64H100O22 |
| Exact Mass | 1220.670625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5cQFxTPYcky |
|---|---|
| Name | 3'',3''',4'',4'''-Tetra-O-acetyl-11,11'-di-O-methyl-elaiophylin |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C64H100O22 |
| InChI | InChI=1S/C64H100O22/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/h21-28,33-42,47-52,55-62,71-72H,19-20,29-32H2,1-18H3/b25-21+,26-22+,27-24+,28-23+/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 | CIYYDGBKTYXVMH-VYGSVTCUSA-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 |