![#5;(R/S)-3-[(3AS,4R,6R,6AS)-4-(HYDROXYMETHYL)-2-METHYL-6-(6-OXO-1,6-DIHYDROPURIN-9-YL)-TETRAHYDROFURO-[3,4-D]-[1,3]-DIOXOL-2-YL]-PROPYL-4-METHYLBENZOATE;MIXTUR](/api/spectrum/JSqVyTPfRez/structure.png?h=300&w=458 "#5;(R/S)-3-[(3AS,4R,6R,6AS)-4-(HYDROXYMETHYL)-2-METHYL-6-(6-OXO-1,6-DIHYDROPURIN-9-YL)-TETRAHYDROFURO-[3,4-D]-[1,3]-DIOXOL-2-YL]-PROPYL-4-METHYLBENZOATE;MIXTUR")
| SpectraBase Compound ID | 2wKr7OFVkNN |
|---|---|
| InChI | InChI=1S/2C23H26N4O7/c2*1-13-4-6-14(7-5-13)22(30)31-9-3-8-23(2)33-17-15(10-28)32-21(18(17)34-23)27-12-26-16-19(27)24-11-25-20(16)29/h2*4-7,11-12,15,17-18,21,28H,3,8-10H2,1-2H3,(H,24,25,29)/t2*15-,17-,18-,21-,23-/m00/s1 |
| InChIKey | LVEOVUGPOMPUIF-RPRVGLIXSA-N |
| Mol Weight | 940.96 g/mol |
| Molecular Formula | C46H52N8O14 |
| Exact Mass | 940.360298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSqVyTPfRez |
|---|---|
| Name | #5;(R/S)-3-[(3AS,4R,6R,6AS)-4-(HYDROXYMETHYL)-2-METHYL-6-(6-OXO-1,6-DIHYDROPURIN-9-YL)-TETRAHYDROFURO-[3,4-D]-[1,3]-DIOXOL-2-YL]-PROPYL-4-METHYLBENZOATE;MIXTUR |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H52N8O14 |
| InChI | InChI=1S/2C23H26N4O7/c2*1-13-4-6-14(7-5-13)22(30)31-9-3-8-23(2)33-17-15(10-28)32-21(18(17)34-23)27-12-26-16-19(27)24-11-25-20(16)29/h2*4-7,11-12,15,17-18,21,28H,3,8-10H2,1-2H3,(H,24,25,29)/t2*15-,17-,18-,21-,23-/m00/s1 |
| InChIKey | LVEOVUGPOMPUIF-RPRVGLIXSA-N |
| Literature Reference Author | K.KOESTLER,H.ROSEMEYER |
| Literature Reference Citation | MOLECULES,14,4326(2009) |
| Literature Reference DOI | 10.3390/molecules14114326 |
| Molecular Weight | 940.964 g/mol |
| Sample ID | 69875 |
| Solvent | DMSO-D6 |