![#8;P(1)-[ALLYL-(2',3'-O-ISOPROPYLIDENE)-ADENOSIN-5'-YL]-P(2)-[ALLYL-(ALPHA/BETA-1'',2'',3''-O,O,O-TRIACETYL)-D-RIBOFURANOSID-5''-YL]-ACETYLENE-BIS-(PHOSPHONATE)](/api/spectrum/56hkt9mUD2w/structure.png?h=300&w=458 "#8;P(1)-[ALLYL-(2',3'-O-ISOPROPYLIDENE)-ADENOSIN-5'-YL]-P(2)-[ALLYL-(ALPHA/BETA-1'',2'',3''-O,O,O-TRIACETYL)-D-RIBOFURANOSID-5''-YL]-ACETYLENE-BIS-(PHOSPHONATE)")
| SpectraBase Compound ID | 6Fsk1dI69k1 |
|---|---|
| InChI | InChI=1S/2C32H41N5O16P2/c2*1-8-10-43-54(41,45-14-21-24(47-18(3)38)27(48-19(4)39)31(51-21)49-20(5)40)12-13-55(42,44-11-9-2)46-15-22-25-26(53-32(6,7)52-25)30(50-22)37-17-36-23-28(33)34-16-35-29(23)37/h2*8-9,16-17,21-22,24-27,30-31H,1-2,10-11,14-15H2,3-7H3,(H2,33,34,35)/t21-,22+,24?,25+,26+,27?,30+,31?,54?,55?;21-,22-,24?,25-,26-,27?,30-,31?,54?,55?/m11/s1 |
| InChIKey | CYQXDAWIKKCNEZ-HFZIKLLTSA-N |
| Mol Weight | 1627.3 g/mol |
| Molecular Formula | C64H82N10O32P4 |
| Exact Mass | 1626.404708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 56hkt9mUD2w |
|---|---|
| Name | #8;P(1)-[ALLYL-(2',3'-O-ISOPROPYLIDENE)-ADENOSIN-5'-YL]-P(2)-[ALLYL-(ALPHA/BETA-1'',2'',3''-O,O,O-TRIACETYL)-D-RIBOFURANOSID-5''-YL]-ACETYLENE-BIS-(PHOSPHONATE) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H82N10O32P4 |
| InChI | InChI=1S/2C32H41N5O16P2/c2*1-8-10-43-54(41,45-14-21-24(47-18(3)38)27(48-19(4)39)31(51-21)49-20(5)40)12-13-55(42,44-11-9-2)46-15-22-25-26(53-32(6,7)52-25)30(50-22)37-17-36-23-28(33)34-16-35-29(23)37/h2*8-9,16-17,21-22,24-27,30-31H,1-2,10-11,14-15H2,3-7H3,(H2,33,34,35)/t21-,22+,24?,25+,26+,27?,30+,31?,54?,55?;21-,22-,24?,25-,26-,27?,30-,31?,54?,55?/m11/s1 |
| InChIKey | CYQXDAWIKKCNEZ-HFZIKLLTSA-N |
| Literature Reference Author | K.V.DERPOORTEN,M.E.MIGAUD |
| Literature Reference Citation | ORG.LETTERS,6,3461(2004) |
| Literature Reference DOI | 10.1021/ol0488993 |
| Molecular Weight | 1627.298 g/mol |
| Sample ID | 33354 |
| Solvent | CDCl3 |