| SpectraBase Compound ID | Dkx4Nj3Zir4 |
|---|---|
| InChI | InChI=1S/C35H46N4O20/c1-14(40)36-25-11-12-39(35(50)38-25)34-33(58-23(10)49)29(54-19(6)45)26(37-15(2)41)28(59-34)31(56-21(8)47)32(57-22(9)48)30(55-20(7)46)27(53-18(5)44)24(52-17(4)43)13-51-16(3)42/h11-12,24,26-34H,13H2,1-10H3,(H,37,41)(H,36,38,40,50)/t24-,26+,27-,28-,29-,30+,31+,32+,33+,34+/m0/s1 |
| InChIKey | YJHZNHKVWHWRBB-KTWKKOKCSA-N |
| Mol Weight | 842.8 g/mol |
| Molecular Formula | C35H46N4O20 |
| Exact Mass | 842.27054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4TJpMZH8V59 |
|---|---|
| Name | HIKOSAMINYLCYTOSINE-PERACETATE |
| CAS Registry Number | 58933-70-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46N4O20 |
| InChI | InChI=1S/C35H46N4O20/c1-14(40)36-25-11-12-39(35(50)38-25)34-33(58-23(10)49)29(54-19(6)45)26(37-15(2)41)28(59-34)31(56-21(8)47)32(57-22(9)48)30(55-20(7)46)27(53-18(5)44)24(52-17(4)43)13-51-16(3)42/h11-12,24,26-34H,13H2,1-10H3,(H,37,41)(H,36,38,40,50)/t24-,26+,27-,28-,29-,30+,31+,32+,33+,34+/m0/s1 |
| InChIKey | YJHZNHKVWHWRBB-KTWKKOKCSA-N |
| Literature Reference Author | M.VUILHORGNE,S.ENNIFAR,B.C.DAS,J.W.PASCHAL,R.NAGARAJAN,E.W.H AGAMAN,E.WENKERT |
| Literature Reference Citation | J.ORG.CHEM.,42,3289(1977) |
| Literature Reference DOI | 10.1021/jo00440a019 |
| Molecular Weight | 842.765 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS13029 |