![1-N,6-O-(2-N)-BIS-[(S)-4-AMINO-2-HYDROXYBUTANOYL]-6-O-[2-N-(3-PROPYLAMINO)-ETHYLAMINO]-NEAMINE](/api/spectrum/51IxkKWKZNj/structure.png?h=300&w=458 "1-N,6-O-(2-N)-BIS-[(S)-4-AMINO-2-HYDROXYBUTANOYL]-6-O-[2-N-(3-PROPYLAMINO)-ETHYLAMINO]-NEAMINE")
| SpectraBase Compound ID | BS6cEZXnKuj |
|---|---|
| InChI | InChI=1S/2C25H52N8O10/c2*26-4-1-7-33(24(40)15(35)3-6-28)8-9-41-22-13(32-23(39)14(34)2-5-27)10-12(30)21(20(22)38)43-25-17(31)19(37)18(36)16(11-29)42-25/h2*12-22,25,34-38H,1-11,26-31H2,(H,32,39)/t12-,13+,14+,15?,16-,17-,18-,19-,20-,21+,22-,25-;12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,22-,25+/m11/s1 |
| InChIKey | MKGSJYWFXXGNPY-VODYVMTESA-N |
| Mol Weight | 1249.5 g/mol |
| Molecular Formula | C50H104N16O20 |
| Exact Mass | 1248.76128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51IxkKWKZNj |
|---|---|
| Name | 1-N,6-O-(2-N)-BIS-[(S)-4-AMINO-2-HYDROXYBUTANOYL]-6-O-[2-N-(3-PROPYLAMINO)-ETHYLAMINO]-NEAMINE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H104N16O20 |
| InChI | InChI=1S/2C25H52N8O10/c2*26-4-1-7-33(24(40)15(35)3-6-28)8-9-41-22-13(32-23(39)14(34)2-5-27)10-12(30)21(20(22)38)43-25-17(31)19(37)18(36)16(11-29)42-25/h2*12-22,25,34-38H,1-11,26-31H2,(H,32,39)/t12-,13+,14+,15?,16-,17-,18-,19-,20-,21+,22-,25-;12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,22-,25+/m11/s1 |
| InChIKey | MKGSJYWFXXGNPY-VODYVMTESA-N |
| Literature Reference Author | J.HADDAD,L.P.KOTRA,B.LLANO-SOTELO,C.KIM,E.F.AZUCENA,M.LIU,S. B.VAKULENKO,C.S.CHOW |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,3229(2002) |
| Literature Reference DOI | 10.1021/ja011695m |
| Molecular Weight | 1249.471 g/mol |
| Sample ID | 33656 |
| Solvent | D2O |