| SpectraBase Compound ID | A6zjZDywdsy |
|---|---|
| InChI | InChI=1S/C32H41N5O5/c1-17(2)27-29(39)36-12-8-11-25(36)32(41-6)37(27)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33H,8,11-12,14,16H2,1-6H3,(H,34,38)/t20-,24?,25+,27+,31-,32+/m1/s1 |
| InChIKey | NLMADGWRGZRDLJ-BPSVWWQHSA-N |
| Mol Weight | 575.7 g/mol |
| Molecular Formula | C32H41N5O5 |
| Exact Mass | 575.310769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HCxsUn0upuS |
|---|---|
| Name | O-12'-METHYLERGOCORNINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H41N5O5 |
| InChI | InChI=1S/C32H41N5O5/c1-17(2)27-29(39)36-12-8-11-25(36)32(41-6)37(27)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33H,8,11-12,14,16H2,1-6H3,(H,34,38)/t20-,24?,25+,27+,31-,32+/m1/s1 |
| InChIKey | NLMADGWRGZRDLJ-BPSVWWQHSA-N |
| Literature Reference Author | N.CRESPI-PERELLINO,M.BALLABIO,B.GIOIA,A.MINGHETTI |
| Literature Reference Citation | J.NAT.PROD.,50,1065(1987) |
| Literature Reference DOI | 10.1021/np50054a009 |
| Molecular Weight | 575.708 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS3534 |