![N(6)-BENZOYL-9-[2'-O-[-BIS-(4-METHOXYPHENYL)-(PHENYL)-METHYL]-3'-O-(METHYLSULFONYL)-BETA-D-ERYTHRO-FURANOSYL]-ADENINE](/api/spectrum/Ax507ttlTWV/structure.png?h=300&w=458 "N(6)-BENZOYL-9-[2'-O-[-BIS-(4-METHOXYPHENYL)-(PHENYL)-METHYL]-3'-O-(METHYLSULFONYL)-BETA-D-ERYTHRO-FURANOSYL]-ADENINE")
| SpectraBase Compound ID | ETmqj9fufQ2 |
|---|---|
| InChI | InChI=1S/C38H35N5O8S/c1-47-29-18-14-27(15-19-29)38(26-12-8-5-9-13-26,28-16-20-30(48-2)21-17-28)50-33-31(51-52(3,45)46)22-49-37(33)43-24-41-32-34(39-23-40-35(32)43)42-36(44)25-10-6-4-7-11-25/h4-21,23-24,31,33,37H,22H2,1-3H3,(H,39,40,42,44)/t31-,33-,37-/m0/s1 |
| InChIKey | HMGAWXNHCUIFAM-RKYZPUHBSA-N |
| Mol Weight | 721.8 g/mol |
| Molecular Formula | C38H35N5O8S |
| Exact Mass | 721.220634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ax507ttlTWV |
|---|---|
| Name | N(6)-BENZOYL-9-[2'-O-[-BIS-(4-METHOXYPHENYL)-(PHENYL)-METHYL]-3'-O-(METHYLSULFONYL)-BETA-D-ERYTHRO-FURANOSYL]-ADENINE |
| Compound Number | 8B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H35N5O8S |
| InChI | InChI=1S/C38H35N5O8S/c1-47-29-18-14-27(15-19-29)38(26-12-8-5-9-13-26,28-16-20-30(48-2)21-17-28)50-33-31(51-52(3,45)46)22-49-37(33)43-24-41-32-34(39-23-40-35(32)43)42-36(44)25-10-6-4-7-11-25/h4-21,23-24,31,33,37H,22H2,1-3H3,(H,39,40,42,44)/t31-,33-,37-/m0/s1 |
| InChIKey | HMGAWXNHCUIFAM-RKYZPUHBSA-N |
| Literature Reference Author | M.FERENCIC,G.REDDY,X.WU,S.GUNTHA,J.NANDY,R.KRISHNAMURTHY,A.E SCHENMOSER |
| Literature Reference Citation | CHEM.BIODIV.,1,939(2004) |
| Literature Reference DOI | 10.1002/cbdv.200490083 |
| Molecular Weight | 721.785 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS21497 |