| SpectraBase Compound ID | 34Sw4IovTRO |
|---|---|
| InChI | InChI=1S/C41H71N11O10S2/c1-9-22(7)32-39(60)48-26(15-21(5)6)36(57)46-27(16-30(43)53)37(58)49-28(19-64-63-18-24(42)34(55)50-33(23(8)10-2)40(61)51-32)41(62)52-13-11-12-29(52)38(59)47-25(14-20(3)4)35(56)45-17-31(44)54/h20-29,32-33H,9-19,42H2,1-8H3,(H2,43,53)(H2,44,54)(H,45,56)(H,46,57)(H,47,59)(H,48,60)(H,49,58)(H,50,55)(H,51,61) |
| InChIKey | FVODUGZMVZJNIO-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 | HaqLAMC6BNT |
|---|---|
| Name | (2-Isoleucine-4-leucine)-ocytocin |
| CAS Registry Number | 42207-83-0 |
| Comments | REFERENCE WAS ORIGINALLY DIOXANE WITH 126.1 PPM (CS2) PH = 5.1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C41H71N11O10S2 |
| InChI | InChI=1S/C41H71N11O10S2/c1-9-22(7)32-39(60)48-26(15-21(5)6)36(57)46-27(16-30(43)53)37(58)49-28(19-64-63-18-24(42)34(55)50-33(23(8)10-2)40(61)51-32)41(62)52-13-11-12-29(52)38(59)47-25(14-20(3)4)35(56)45-17-31(44)54/h20-29,32-33H,9-19,42H2,1-8H3,(H2,43,53)(H2,44,54)(H,45,56)(H,46,57)(H,47,59)(H,48,60)(H,49,58)(H,50,55)(H,51,61) |
| InChIKey | FVODUGZMVZJNIO-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 |