![CLAUSENAIN-B;CYCLO-[PHE(1)-SER-LEU(1)-PHE(2)-PHE(4)-GLY-LEU(2)-PHE(3)]](/api/spectrum/8wyezBu5yM5/structure.png?h=300&w=458 "CLAUSENAIN-B;CYCLO-[PHE(1)-SER-LEU(1)-PHE(2)-PHE(4)-GLY-LEU(2)-PHE(3)]")
| SpectraBase Compound ID | 30Yp8SwV7hU |
|---|---|
| InChI | InChI=1S/C53H66N8O9/c1-33(2)25-39-47(64)54-31-46(63)55-41(27-35-17-9-5-10-18-35)49(66)58-43(29-37-21-13-7-14-22-37)51(68)57-40(26-34(3)4)48(65)61-45(32-62)53(70)60-44(30-38-23-15-8-16-24-38)52(69)59-42(50(67)56-39)28-36-19-11-6-12-20-36/h5-24,33-34,39-45,62H,25-32H2,1-4H3,(H,54,64)(H,55,63)(H,56,67)(H,57,68)(H,58,66)(H,59,69)(H,60,70)(H,61,65)/t39-,40-,41-,42-,43-,44-,45-/m0/s1 |
| InChIKey | YVEQFEAVSPXSQW-FXRUNAACSA-N |
| Mol Weight | 959.2 g/mol |
| Molecular Formula | C53H66N8O9 |
| Exact Mass | 958.495276 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8wyezBu5yM5 |
|---|---|
| Name | CLAUSENAIN-B;CYCLO-[PHE(1)-SER-LEU(1)-PHE(2)-PHE(4)-GLY-LEU(2)-PHE(3)] |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H66N8O9 |
| InChI | InChI=1S/C53H66N8O9/c1-33(2)25-39-47(64)54-31-46(63)55-41(27-35-17-9-5-10-18-35)49(66)58-43(29-37-21-13-7-14-22-37)51(68)57-40(26-34(3)4)48(65)61-45(32-62)53(70)60-44(30-38-23-15-8-16-24-38)52(69)59-42(50(67)56-39)28-36-19-11-6-12-20-36/h5-24,33-34,39-45,62H,25-32H2,1-4H3,(H,54,64)(H,55,63)(H,56,67)(H,57,68)(H,58,66)(H,59,69)(H,60,70)(H,61,65)/t39-,40-,41-,42-,43-,44-,45-/m0/s1 |
| InChIKey | YVEQFEAVSPXSQW-FXRUNAACSA-N |
| Literature Reference Author | Y.S.WANG,H.P.HE,J.H.YANG,Y.T.DI,N.H.TAN,.J.HAO |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,20,478(2009) |
| Literature Reference DOI | 10.1590/s0103-50532009000300011 |
| Molecular Weight | 959.155 g/mol |
| Source File Reference | UWBT6134 |