| SpectraBase Compound ID | KKMScO5CLmw |
|---|---|
| InChI | InChI=1S/C44H69N11O11S2/c1-7-24(6)36-43(65)52-29(16-23(4)5)39(61)50-31(18-34(46)57)40(62)53-32(21-68-67-20-27(45)37(59)49-30(41(63)54-36)17-25-10-12-26(56)13-11-25)44(66)55-14-8-9-33(55)42(64)51-28(15-22(2)3)38(60)48-19-35(47)58/h10-13,22-24,27-33,36,56H,7-9,14-21,45H2,1-6H3,(H2,46,57)(H2,47,58)(H,48,60)(H,49,59)(H,50,61)(H,51,64)(H,52,65)(H,53,62)(H,54,63) |
| InChIKey | LOVOTNWLCYEBDN-UHFFFAOYSA-N |
| Mol Weight | 992.2 g/mol |
| Molecular Formula | C44H69N11O11S2 |
| Exact Mass | 991.461944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A585aGYkNDz |
|---|---|
| Name | (4-Leucine)-ocytocin |
| CAS Registry Number | 17834-13-8 |
| Comments | REFERENCE WAS ORIGINALLY DIOXANE WITH 126.1 PPM (CS2) PH = 5.2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C44H69N11O11S2 |
| InChI | InChI=1S/C44H69N11O11S2/c1-7-24(6)36-43(65)52-29(16-23(4)5)39(61)50-31(18-34(46)57)40(62)53-32(21-68-67-20-27(45)37(59)49-30(41(63)54-36)17-25-10-12-26(56)13-11-25)44(66)55-14-8-9-33(55)42(64)51-28(15-22(2)3)38(60)48-19-35(47)58/h10-13,22-24,27-33,36,56H,7-9,14-21,45H2,1-6H3,(H2,46,57)(H2,47,58)(H,48,60)(H,49,59)(H,50,61)(H,51,64)(H,52,65)(H,53,62)(H,54,63) |
| InChIKey | LOVOTNWLCYEBDN-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 |