| SpectraBase Compound ID | IF84urTybtX |
|---|---|
| InChI | InChI=1S/C44H69N11O10S2/c1-7-25(6)36-43(64)52-29(17-24(4)5)39(60)50-31(19-34(46)56)40(61)53-32(22-67-66-21-27(45)37(58)49-30(41(62)54-36)18-26-12-9-8-10-13-26)44(65)55-15-11-14-33(55)42(63)51-28(16-23(2)3)38(59)48-20-35(47)57/h8-10,12-13,23-25,27-33,36H,7,11,14-22,45H2,1-6H3,(H2,46,56)(H2,47,57)(H,48,59)(H,49,58)(H,50,60)(H,51,63)(H,52,64)(H,53,61)(H,54,62) |
| InChIKey | RQMKOFRYFMPBNK-UHFFFAOYSA-N |
| Mol Weight | 976.2 g/mol |
| Molecular Formula | C44H69N11O10S2 |
| Exact Mass | 975.46703 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51p3VnvPwXX |
|---|---|
| Name | (2-Phenylalanine-4-leucine)-ocytocin |
| CAS Registry Number | 38736-19-5 |
| Comments | REFERENCE WAS ORIGINALLY DIOXANE WITH 126.1 PPM (CS2) PH = 5.3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C44H69N11O10S2 |
| InChI | InChI=1S/C44H69N11O10S2/c1-7-25(6)36-43(64)52-29(17-24(4)5)39(60)50-31(19-34(46)56)40(61)53-32(22-67-66-21-27(45)37(58)49-30(41(62)54-36)18-26-12-9-8-10-13-26)44(65)55-15-11-14-33(55)42(63)51-28(16-23(2)3)38(59)48-20-35(47)57/h8-10,12-13,23-25,27-33,36H,7,11,14-22,45H2,1-6H3,(H2,46,56)(H2,47,57)(H,48,59)(H,49,58)(H,50,60)(H,51,63)(H,52,64)(H,53,61)(H,54,62) |
| InChIKey | RQMKOFRYFMPBNK-UHFFFAOYSA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | V.J. Hruby, K.K. Deb, A.F. Spatola, J. Am. Chem. Soc. 101, 202 (1979). |
| NMR Standard | CS2 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |