| SpectraBase Compound ID | BMzKdIK7EJN |
|---|---|
| InChI | InChI=1S/C53H81N3O8/c1-28(17-48(58)62-44-19-36-29(2)22-54(9)25-39(36)32(44)5)13-15-42-49(51(59)63-45-20-37-30(3)23-55(10)26-40(37)33(45)6)50(35-14-16-43(57)47(18-35)61-12)53(42,8)52(60)64-46-21-38-31(4)24-56(11)27-41(38)34(46)7/h14,16-18,29-34,36-42,44-46,49-50,57H,13,15,19-27H2,1-12H3/b28-17+/t29-,30-,31-,32-,33-,34-,36-,37-,38-,39-,40-,41-,42-,44+,45+,46+,49-,50-,53-/m0/s1 |
| InChIKey | LKEOSIWTLAAPOY-GHEYSOFQSA-N |
| Mol Weight | 888.2 g/mol |
| Molecular Formula | C53H81N3O8 |
| Exact Mass | 887.602367 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ckt5rGET7AD |
|---|---|
| Name | INCARVILLATEINE-E |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H81N3O8 |
| InChI | InChI=1S/C53H81N3O8/c1-28(17-48(58)62-44-19-36-29(2)22-54(9)25-39(36)32(44)5)13-15-42-49(51(59)63-45-20-37-30(3)23-55(10)26-40(37)33(45)6)50(35-14-16-43(57)47(18-35)61-12)53(42,8)52(60)64-46-21-38-31(4)24-56(11)27-41(38)34(46)7/h14,16-18,29-34,36-42,44-46,49-50,57H,13,15,19-27H2,1-12H3/b28-17+/t29-,30-,31-,32-,33-,34-,36-,37-,38-,39-,40-,41-,42-,44+,45+,46+,49-,50-,53-/m0/s1 |
| InChIKey | LKEOSIWTLAAPOY-GHEYSOFQSA-N |
| Literature Reference Author | Y.M.CHI,M.NAKAMURA,X.Y.ZHAO,T.YOSHIZAWA,W.M.YAN,F.HASHIMOTO, J.KINJO,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,1178(2005) |
| Literature Reference DOI | 10.1248/cpb.53.1178 |
| Molecular Weight | 888.241 g/mol |
| Sample ID | 54085 |
| Solvent | Unknown |