| SpectraBase Compound ID | H2CxmdEqyGG |
|---|---|
| InChI | InChI=1S/C42H46N4O5/c1-4-39-21-24(34(47)49-2)32-40(25-8-5-6-9-28(25)43-32)15-19-46(37(39)40)30(31-33(39)51-31)23-10-11-29-26(20-23)41-16-18-45-17-7-12-38(36(41)45)13-14-42(41,44-29)27(22-38)35(48)50-3/h5-12,20,27,30-31,33,36-37,43-44H,4,13-19,21-22H2,1-3H3/t27?,30-,31-,33-,36+,37+,38-,39-,40?,41?,42-/m1/s1 |
| InChIKey | YGBRAWBXISPFCJ-DGJQFXJESA-N |
| Mol Weight | 686.9 g/mol |
| Molecular Formula | C42H46N4O5 |
| Exact Mass | 686.346821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CurHNo7zIMP |
|---|---|
| Name | SCANDOMELIDINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46N4O5 |
| InChI | InChI=1S/C42H46N4O5/c1-4-39-21-24(34(47)49-2)32-40(25-8-5-6-9-28(25)43-32)15-19-46(37(39)40)30(31-33(39)51-31)23-10-11-29-26(20-23)41-16-18-45-17-7-12-38(36(41)45)13-14-42(41,44-29)27(22-38)35(48)50-3/h5-12,20,27,30-31,33,36-37,43-44H,4,13-19,21-22H2,1-3H3/t27?,30-,31-,33-,36+,37+,38-,39-,40?,41?,42-/m1/s1 |
| InChIKey | YGBRAWBXISPFCJ-DGJQFXJESA-N |
| Literature Reference Author | H.MEHRI,M.PLAT |
| Literature Reference Citation | J.NAT.PROD.,55,241(1992) |
| Literature Reference DOI | 10.1021/np50080a017 |
| Molecular Weight | 686.851 g/mol |
| Solvent | Unknown |
| Source File Reference | UWFP180 |