![(6-Hemi-D-[.alpha.-deuterio]-cystein)-ocytocin](/api/spectrum/LsCJ8iJGSYY/structure.png?h=300&w=458 "(6-Hemi-D-[.alpha.-deuterio]-cystein)-ocytocin")
| SpectraBase Compound ID | 503pp3PBjA0 |
|---|---|
| InChI | InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/i30D |
| InChIKey | XNOPRXBHLZRZKH-OBXIQSIWSA-N |
| Mol Weight | 1008.2 g/mol |
| Molecular Formula | C43H65DN12O12S2 |
| Exact Mass | 1007.442735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LsCJ8iJGSYY |
|---|---|
| Name | (6-Hemi-D-[.alpha.-deuterio]-cystein)-ocytocin |
| CAS Registry Number | 57866-61-2 |
| Comments | ORIGINAL REF. DIOXANE WITH 126.1 PPM (CS2), PH = 5.9, CHEM.SHIFT OF C15 WAS DETERMINED FROM COMPOUND WITH C43 DIDEUTERATED AND C15 UNDEUTERATED, SIGNALS OF BOTH COMPOUNDS ARE VIRTUALLY IDENTICAL |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C43H65DN12O12S2 |
| InChI | InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/i30D |
| InChIKey | XNOPRXBHLZRZKH-OBXIQSIWSA-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 |