| SpectraBase Compound ID | 6isVGXdx1ec |
|---|---|
| InChI | InChI=1S/C39H57N11O11S2/c1-20(2)13-24(34(56)43-16-31(42)53)46-37(59)29-6-4-12-50(29)39(61)27-19-63-62-18-23(40)33(55)47-26(14-21-7-9-22(51)10-8-21)38(60)49-11-3-5-28(49)36(58)44-17-32(54)45-25(15-30(41)52)35(57)48-27/h7-10,20,23-29,51H,3-6,11-19,40H2,1-2H3,(H2,41,52)(H2,42,53)(H,43,56)(H,44,58)(H,45,54)(H,46,59)(H,47,55)(H,48,57) |
| InChIKey | PPVOPUXQAZWJBQ-UHFFFAOYSA-N |
| Mol Weight | 920.1 g/mol |
| Molecular Formula | C39H57N11O11S2 |
| Exact Mass | 919.368044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qyEwHNGAOM |
|---|---|
| Name | (3-Proline-4-glycine)-ocytocin |
| CAS Registry Number | 60473-83-8 |
| Comments | PH = 3.5 ISOMER 2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C39H57N11O11S2 |
| InChI | InChI=1S/C39H57N11O11S2/c1-20(2)13-24(34(56)43-16-31(42)53)46-37(59)29-6-4-12-50(29)39(61)27-19-63-62-18-23(40)33(55)47-26(14-21-7-9-22(51)10-8-21)38(60)49-11-3-5-28(49)36(58)44-17-32(54)45-25(15-30(41)52)35(57)48-27/h7-10,20,23-29,51H,3-6,11-19,40H2,1-2H3,(H2,41,52)(H2,42,53)(H,43,56)(H,44,58)(H,45,54)(H,46,59)(H,47,55)(H,48,57) |
| InChIKey | PPVOPUXQAZWJBQ-UHFFFAOYSA-N |
| Instrument Name | Bruker HX-270 |
| Literature Reference | R. Deslauriers, I.C.P. Smith, G.C.Levy, J. Am. Chem. Soc. 100, 3912 (1978). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |