| SpectraBase Compound ID | CUHYk6J69tQ |
|---|---|
| InChI | InChI=1S/C50H90N10O11/c1-12-14-15-16-17-18-19-20-39(64)59-27-34(62)25-37(59)46(69)60-28-33(61)24-36(60)43(66)55-40(30(5)6)45(68)58-49(8,9)47(70)54-35(21-22-38(52)63)42(65)57-50(10,11)48(71)56-41(31(7)13-2)44(67)53-32(26-51)23-29(3)4/h29-37,40-41,61-62H,12-28,51H2,1-11H3,(H2,52,63)(H,53,67)(H,54,70)(H,55,66)(H,56,71)(H,57,65)(H,58,68)/t31-,32-,33-,34-,35+,36+,37+,40-,41-/m1/s1 |
| InChIKey | XARWTRNVQZILGP-PSHQYURISA-N |
| Mol Weight | 1007.3 g/mol |
| Molecular Formula | C50H90N10O11 |
| Exact Mass | 1006.679054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FOeB1MQzupv |
|---|---|
| Name | CICADAPEPTIN_II;N-DECANOYL-HYP-HYP-VAL-AIB-ILE-C-TERMINAL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H90N10O11 |
| InChI | InChI=1S/C50H90N10O11/c1-12-14-15-16-17-18-19-20-39(64)59-27-34(62)25-37(59)46(69)60-28-33(61)24-36(60)43(66)55-40(30(5)6)45(68)58-49(8,9)47(70)54-35(21-22-38(52)63)42(65)57-50(10,11)48(71)56-41(31(7)13-2)44(67)53-32(26-51)23-29(3)4/h29-37,40-41,61-62H,12-28,51H2,1-11H3,(H2,52,63)(H,53,67)(H,54,70)(H,55,66)(H,56,71)(H,57,65)(H,58,68)/t31-,32-,33-,34-,35+,36+,37+,40-,41-/m1/s1 |
| InChIKey | XARWTRNVQZILGP-PSHQYURISA-N |
| Literature Reference Author | S.B.KRASNOFF,R.F.REATEGUI,M.M.WAGENAAR,J.B.GLOER,D.M.GIBSON |
| Literature Reference Citation | J.NAT.PROD.,68,50(2005) |
| Literature Reference DOI | 10.1021/np0497189 |
| Molecular Weight | 1007.325 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ8356 |