| SpectraBase Compound ID | KZ3YSo9xvkT |
|---|---|
| InChI | InChI=1S/C53H72N5O34P.C6H15N/c1-22(59)54-39-15-16-58(51(73)57-39)48-47(88-33(12)70)44(87-32(11)69)38(89-48)21-80-93(74,75)92-53(50(72)77-14)18-35(82-27(6)64)41(56-24(3)61)46(91-53)43(86-31(10)68)37(84-29(8)66)20-79-52(49(71)76-13)17-34(81-26(5)63)40(55-23(2)60)45(90-52)42(85-30(9)67)36(83-28(7)65)19-78-25(4)62;1-4-7(5-2)6-3/h15-16,34-38,40-48H,17-21H2,1-14H3,(H,55,60)(H,56,61)(H,74,75)(H,54,57,59,73);4-6H2,1-3H3/t34-,35-,36-,37+,38-,40+,41+,42+,43+,44-,45+,46+,47-,48-,52+,53+;/m0./s1 |
| InChIKey | JKYIOVZCAXWAJS-MRDBFVAGSA-N |
| Mol Weight | 1455.3 g/mol |
| Molecular Formula | C59H87N6O34P |
| Exact Mass | 1454.500081 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDdZP15nf5W |
|---|---|
| Name | #70;TRIETHYLAMMONIUM-4-N-ACETYL-2',3'-DI-O-ACETYL-5'-CYTIDINYL-[METHYL-O-(METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NON |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H87N6O34P |
| InChI | InChI=1S/C53H72N5O34P.C6H15N/c1-22(59)54-39-15-16-58(51(73)57-39)48-47(88-33(12)70)44(87-32(11)69)38(89-48)21-80-93(74,75)92-53(50(72)77-14)18-35(82-27(6)64)41(56-24(3)61)46(91-53)43(86-31(10)68)37(84-29(8)66)20-79-52(49(71)76-13)17-34(81-26(5)63)40(55-23(2)60)45(90-52)42(85-30(9)67)36(83-28(7)65)19-78-25(4)62;1-4-7(5-2)6-3/h15-16,34-38,40-48H,17-21H2,1-14H3,(H,55,60)(H,56,61)(H,74,75)(H,54,57,59,73);4-6H2,1-3H3/t34-,35-,36-,37+,38-,40+,41+,42+,43+,44-,45+,46+,47-,48-,52+,53+;/m0./s1 |
| InChIKey | JKYIOVZCAXWAJS-MRDBFVAGSA-N |
| Literature Reference Author | M.IZUMI,G.J.SHEN,S.WACOWICH-SGARBI,T.NAKATANI,O.PLETTENBURG, C.H.WONG |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,10909(2001) |
| Literature Reference DOI | 10.1021/ja011382r |
| Solvent | CDCl3 |
| Source File Reference | UWLU30813 |