| SpectraBase Compound ID | GuWBaTnanJv |
|---|---|
| InChI | InChI=1S/C44H65N5O9/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/h1,15,17-18,20-21,27-29,31-33,35-37H,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+/m1/s1 |
| InChIKey | MGUMDFGKOQUYTD-XGHAHIJKSA-N |
| Mol Weight | 808.0 g/mol |
| Molecular Formula | C44H65N5O9 |
| Exact Mass | 807.478229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Isehl8HGS7 |
|---|---|
| Name | PITIPEPTOLIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H65N5O9 |
| InChI | InChI=1S/C44H65N5O9/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/h1,15,17-18,20-21,27-29,31-33,35-37H,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+/m1/s1 |
| InChIKey | MGUMDFGKOQUYTD-XGHAHIJKSA-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 | 808.028 g/mol |
| Solvent | CDCl3 |