| SpectraBase Compound ID | 5Knh78gRUh3 |
|---|---|
| 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)/t22-,25-,26-,27-,28-,29-,30+,31-,35-/m0/s1 |
| InChIKey | XNOPRXBHLZRZKH-GRJJLVTGSA-N |
| Mol Weight | 1007.2 g/mol |
| Molecular Formula | C43H66N12O12S2 |
| Exact Mass | 1006.436458 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AANnKOCm0am |
|---|---|
| Name | OXYTOCIN;OXT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H66N12O12S2 |
| 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)/t22-,25-,26-,27-,28-,29-,30+,31-,35-/m0/s1 |
| InChIKey | XNOPRXBHLZRZKH-GRJJLVTGSA-N |
| Literature Reference Author | A.OHNO,N.KAWASAKI,K.FUKUHARA,H.OKUDA,T.YAMAQUCHI |
| Literature Reference Citation | MAGN.RES.CHEM.,48,168(2010) |
| Solvent | PHOSPHATE;PH=6.2 |
| Source File Reference | UWIR16523 |