| SpectraBase Compound ID | CwRNNDB3mKM |
|---|---|
| InChI | InChI=1S/C41H71N11O10S2/c1-9-23(8)33-40(61)49-26(14-21(4)5)36(57)47-28(16-31(43)53)37(58)50-29(19-64-63-18-24(42)34(55)46-27(15-22(6)7)38(59)51-33)41(62)52-12-10-11-30(52)39(60)48-25(13-20(2)3)35(56)45-17-32(44)54/h20-30,33H,9-19,42H2,1-8H3,(H2,43,53)(H2,44,54)(H,45,56)(H,46,55)(H,47,57)(H,48,60)(H,49,61)(H,50,58)(H,51,59) |
| InChIKey | WWOWOUAJNAHZBJ-UHFFFAOYSA-N |
| Mol Weight | 942.2 g/mol |
| Molecular Formula | C41H71N11O10S2 |
| Exact Mass | 941.48268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ga5j48HSsad |
|---|---|
| Name | (2,4-Leucine)-ocytocin |
| CAS Registry Number | 33956-54-6 |
| Comments | REFERENCE WAS ORIGINALLY DIOXANE WITH 126.1 PPM (CS2) PH = 4.4 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C41H71N11O10S2 |
| InChI | InChI=1S/C41H71N11O10S2/c1-9-23(8)33-40(61)49-26(14-21(4)5)36(57)47-28(16-31(43)53)37(58)50-29(19-64-63-18-24(42)34(55)46-27(15-22(6)7)38(59)51-33)41(62)52-12-10-11-30(52)39(60)48-25(13-20(2)3)35(56)45-17-32(44)54/h20-30,33H,9-19,42H2,1-8H3,(H2,43,53)(H2,44,54)(H,45,56)(H,46,55)(H,47,57)(H,48,60)(H,49,61)(H,50,58)(H,51,59) |
| InChIKey | WWOWOUAJNAHZBJ-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 |