| SpectraBase Compound ID | BlDp9tNDngj |
|---|---|
| InChI | InChI=1S/C44H60N12O9/c1-5-24(4)37-44(65)56-15-9-13-33(56)43(64)55-14-8-12-32(55)41(62)51-29(16-25-19-47-28-11-7-6-10-27(25)28)39(60)50-30(17-26-20-46-22-49-26)38(59)48-21-35(58)53-36(23(2)3)42(63)52-31(18-34(45)57)40(61)54-37/h6-7,10-11,19-20,22-24,29-33,36-37,47H,5,8-9,12-18,21H2,1-4H3,(H2,45,57)(H,46,49)(H,48,59)(H,50,60)(H,51,62)(H,52,63)(H,53,58)(H,54,61)/t24?,29-,30-,31-,32-,33-,36-,37-/m0/s1 |
| InChIKey | RXDUUZAJNVJIAD-GJKHKCCFSA-N |
| Mol Weight | 901.0 g/mol |
| Molecular Formula | C44H60N12O9 |
| Exact Mass | 900.460622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9c7wjFpBE5 |
|---|---|
| Name | TUNICYCLIN_D;CYCLO-(L-PRO-(A)-L-PRO-(B)-L-TRP-L-HIS-GLY-L-VAL-L-ASN-L-ILE) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H60N12O9 |
| InChI | InChI=1S/C44H60N12O9/c1-5-24(4)37-44(65)56-15-9-13-33(56)43(64)55-14-8-12-32(55)41(62)51-29(16-25-19-47-28-11-7-6-10-27(25)28)39(60)50-30(17-26-20-46-22-49-26)38(59)48-21-35(58)53-36(23(2)3)42(63)52-31(18-34(45)57)40(61)54-37/h6-7,10-11,19-20,22-24,29-33,36-37,47H,5,8-9,12-18,21H2,1-4H3,(H2,45,57)(H,46,49)(H,48,59)(H,50,60)(H,51,62)(H,52,63)(H,53,58)(H,54,61)/t24?,29-,30-,31-,32-,33-,36-,37-/m0/s1 |
| InChIKey | RXDUUZAJNVJIAD-GJKHKCCFSA-N |
| Literature Reference Author | J.TIAN,Y.SHEN,X.YANG,S.LIANG,L.SHAN,H.LI,R.LIU,W.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,73,1987(2010) |
| Literature Reference DOI | 10.1021/np100363a |
| Molecular Weight | 901.035 g/mol |
| Sample ID | 37161 |
| Solvent | D2O:C5D5N |