| SpectraBase Compound ID | BM4SvJbNawA |
|---|---|
| InChI | InChI=1S/C49H70N8O10/c1-8-29(6)40-46(64)53-39(28(4)5)49(67)57-23-13-17-38(57)45(63)55-41(30(7)58)47(65)51-35(25-31-14-10-9-11-15-31)42(60)52-36(26-32-18-20-33(59)21-19-32)48(66)56-22-12-16-37(56)44(62)50-34(24-27(2)3)43(61)54-40/h9-11,14-15,18-21,27-30,34-41,58-59H,8,12-13,16-17,22-26H2,1-7H3,(H,50,62)(H,51,65)(H,52,60)(H,53,64)(H,54,61)(H,55,63)/t29?,30?,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 |
| InChIKey | DZLKWHWDMKRDEX-UWDNFYKOSA-N |
| Mol Weight | 931.1 g/mol |
| Molecular Formula | C49H70N8O10 |
| Exact Mass | 930.52149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AhnDZGuTmFq |
|---|---|
| Name | DICHOTOMIN-I;CYClO-(-VAL-PRO-THR-PHE-TYR-PRO-LEU-ILE-) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H70N8O10 |
| InChI | InChI=1S/C49H70N8O10/c1-8-29(6)40-46(64)53-39(28(4)5)49(67)57-23-13-17-38(57)45(63)55-41(30(7)58)47(65)51-35(25-31-14-10-9-11-15-31)42(60)52-36(26-32-18-20-33(59)21-19-32)48(66)56-22-12-16-37(56)44(62)50-34(24-27(2)3)43(61)54-40/h9-11,14-15,18-21,27-30,34-41,58-59H,8,12-13,16-17,22-26H2,1-7H3,(H,50,62)(H,51,65)(H,52,60)(H,53,64)(H,54,61)(H,55,63)/t29?,30?,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 |
| InChIKey | DZLKWHWDMKRDEX-UWDNFYKOSA-N |
| Literature Reference Author | H.MORITA,K.TAKEYA,H.ITOKAWA |
| Literature Reference Citation | PHYTOCHEM.,45,841(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00056-3 |
| Molecular Weight | 931.142 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP1597 |