| SpectraBase Compound ID | poPhqDIIwR |
|---|---|
| InChI | InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36?,38-,43+,44-,45+/m0/s1 |
| InChIKey | DBXFAPJCZABTDR-UJLUYDJNSA-N |
| Mol Weight | 831.9 g/mol |
| Molecular Formula | C45H53NO14 |
| Exact Mass | 831.346605 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMAryCNMFV8 |
|---|---|
| Name | CEPHALOMANNINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H53NO14 |
| InChI | InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36?,38-,43+,44-,45+/m0/s1 |
| InChIKey | DBXFAPJCZABTDR-UJLUYDJNSA-N |
| Literature Reference Author | G.N.CHMURNY,B.D.HILTON,S.BROBST,S.A.LOOK,K.M.WITHERUP,J.A.BE UTLER |
| Literature Reference Citation | J.NAT.PROD.,55,414(1992) |
| Literature Reference DOI | 10.1021/np50082a002 |
| Molecular Weight | 831.914 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS227 |