| SpectraBase Spectrum ID |
LOlTN5lPsMj |
| Name |
2'-o-[(Methoxycarbonyl)methyl)-N(6),3-o,5-o-tribenzoyladenosine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
651.196527525 u |
| Formula |
C34H29N5O9 |
| InChI |
InChI=1S/C34H29N5O9/c1-44-25(40)18-45-28-27(48-34(43)23-15-9-4-10-16-23)24(17-46-33(42)22-13-7-3-8-14-22)47-32(28)39-20-37-26-29(35-19-36-30(26)39)38-31(41)21-11-5-2-6-12-21/h2-16,19-20,24,27-28,32H,17-18H2,1H3,(H,35,36,38,41) |
| InChIKey |
ZMDMGINOQCASRZ-UHFFFAOYSA-N |
| Molecular Weight |
651.632 g/mol |
| SMILES |
C1(N2C3=C(C(NC(=O)C4=CC=CC=C4)=NC=N3)N=C2)C(C(OC(=O)C=2C=CC=CC2)C(O1)COC(=O)C=1C=CC=CC1)OCC(=O)OC |
