| SpectraBase Compound ID | AuEbjSiuRAS |
|---|---|
| InChI | InChI=1S/C21H37N5O14/c22-7-1-2-26(21(37)25-7)19-16(36)12(32)9(24)17(39-19)18(15(35)14(34)10(30)5(29)3-27)40-20-13(33)8(23)11(31)6(4-28)38-20/h1-2,5-6,8-20,27-36H,3-4,23-24H2,(H2,22,25,37)/t5-,6+,8-,9-,10-,11+,12-,13+,14+,15+,16+,17-,18?,19+,20-/m0/s1 |
| InChIKey | VQQSDVBOXQHCHU-GDVFPTKWSA-N |
| Mol Weight | 583.5 g/mol |
| Molecular Formula | C21H37N5O14 |
| Exact Mass | 583.233701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AXHAKJuKxuS |
|---|---|
| Name | HIKIZIMYCIN;ANTHELMYCIN |
| CAS Registry Number | 12706-94-4 |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H37N5O14 |
| InChI | InChI=1S/C21H37N5O14/c22-7-1-2-26(21(37)25-7)19-16(36)12(32)9(24)17(39-19)18(15(35)14(34)10(30)5(29)3-27)40-20-13(33)8(23)11(31)6(4-28)38-20/h1-2,5-6,8-20,27-36H,3-4,23-24H2,(H2,22,25,37)/t5-,6+,8-,9-,10-,11+,12-,13+,14+,15+,16+,17-,18?,19+,20-/m0/s1 |
| InChIKey | VQQSDVBOXQHCHU-GDVFPTKWSA-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 | 583.550 g/mol |
| Solvent | D2O;PH<1 |
| Source File Reference | UWCS13008 |