| SpectraBase Compound ID | 98VyMDPHYkf |
|---|---|
| InChI | InChI=1S/C55H69N9O11/c1-33(2)28-40-52(72)61-24-7-13-44(61)50(70)58-39(29-34-10-4-3-5-11-34)48(68)59-42(31-36-18-22-38(66)23-19-36)54(74)64-27-9-15-46(64)55(75)63-26-6-12-43(63)49(69)56-32-47(67)57-41(30-35-16-20-37(65)21-17-35)53(73)62-25-8-14-45(62)51(71)60-40/h3-5,10-11,16-23,33,39-46,65-66H,6-9,12-15,24-32H2,1-2H3,(H,56,69)(H,57,67)(H,58,70)(H,59,68)(H,60,71)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 |
| InChIKey | KUJSGRJPNYKNOJ-QVWIHFFISA-N |
| Mol Weight | 1032.2 g/mol |
| Molecular Formula | C55H69N9O11 |
| Exact Mass | 1031.511654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jMM55HFc5I |
|---|---|
| Name | CYCLOLEONURIPEPTIDE_F;CYCLO-(GLY-TYR-PRO-LEU-PRO-PHE-TYR-PRO-PRO-) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H69N9O11 |
| InChI | InChI=1S/C55H69N9O11/c1-33(2)28-40-52(72)61-24-7-13-44(61)50(70)58-39(29-34-10-4-3-5-11-34)48(68)59-42(31-36-18-22-38(66)23-19-36)54(74)64-27-9-15-46(64)55(75)63-26-6-12-43(63)49(69)56-32-47(67)57-41(30-35-16-20-37(65)21-17-35)53(73)62-25-8-14-45(62)51(71)60-40/h3-5,10-11,16-23,33,39-46,65-66H,6-9,12-15,24-32H2,1-2H3,(H,56,69)(H,57,67)(H,58,70)(H,59,68)(H,60,71)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 |
| InChIKey | KUJSGRJPNYKNOJ-QVWIHFFISA-N |
| Literature Reference Author | H.MORITA,T.IIZUKA,A.GONDA,H.ITOKAWA,K.TAKEYA |
| Literature Reference Citation | J.NAT.PROD.,69,839(2006) |
| Literature Reference DOI | 10.1021/np050544k |
| Molecular Weight | 1032.207 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ18450 |