| SpectraBase Compound ID | 9EWaicnR0nI |
|---|---|
| InChI | InChI=1S/C44H67N5O9/c1-11-14-16-23-33-44(8,9)43(56)47-35(27(4)5)40(53)48(10)32(25-30-20-17-15-18-21-30)42(55)58-37(29(7)13-3)41(54)49-24-19-22-31(49)38(51)46-36(28(6)12-2)39(52)45-26-34(50)57-33/h11,15,17-18,20-21,27-29,31-33,35-37H,1,12-14,16,19,22-26H2,2-10H3,(H,45,52)(H,46,51)(H,47,56)/t28-,29-,31-,32-,33-,35-,36-,37-/m0/s1 |
| InChIKey | WXTNWSNJAHRKRT-XXMTWPQQSA-N |
| Mol Weight | 810.0 g/mol |
| Molecular Formula | C44H67N5O9 |
| Exact Mass | 809.493879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOn8CXxKSdL |
|---|---|
| Name | PITIPEPTOLIDE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H67N5O9 |
| InChI | InChI=1S/C44H67N5O9/c1-11-14-16-23-33-44(8,9)43(56)47-35(27(4)5)40(53)48(10)32(25-30-20-17-15-18-21-30)42(55)58-37(29(7)13-3)41(54)49-24-19-22-31(49)38(51)46-36(28(6)12-2)39(52)45-26-34(50)57-33/h11,15,17-18,20-21,27-29,31-33,35-37H,1,12-14,16,19,22-26H2,2-10H3,(H,45,52)(H,46,51)(H,47,56)/t28-,29-,31-,32-,33-,35-,36-,37-/m0/s1 |
| InChIKey | WXTNWSNJAHRKRT-XXMTWPQQSA-N |
| Literature Reference Author | H.LUESCH,R.PANGILINAN,W.Y.YOSHIDA,R.E.MOORE,V.J.PAUL |
| Literature Reference Citation | J.NAT.PROD.,64,304(2001) |
| Literature Reference DOI | 10.1021/np000456u |
| Molecular Weight | 810.044 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU3929 |