| SpectraBase Compound ID | G9ksZmpPhXe |
|---|---|
| InChI | InChI=1S/C41H42N4O5/c1-4-37-19-23(33(47)49-3)30-39(24-8-5-6-9-26(24)42-30)13-17-45(34(37)39)28(29-32(37)50-29)22-10-11-27-25(18-22)40-14-16-44-15-7-12-38(35(40)44)20-41(40,36(48)43-27)31(46)21(38)2/h5-12,18,21,28-29,32,34-35,42H,4,13-17,19-20H2,1-3H3,(H,43,48)/t21-,28+,29+,32+,34-,35-,37+,38?,39?,40?,41?/m0/s1 |
| InChIKey | DLXOUMLMKSWHPZ-CSIKQJMQSA-N |
| Mol Weight | 670.8 g/mol |
| Molecular Formula | C41H42N4O5 |
| Exact Mass | 670.31552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G67gbA2Ssnr |
|---|---|
| Name | SCANDOMELONINE |
| CAS Registry Number | 59813-31-9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H42N4O5 |
| InChI | InChI=1S/C41H42N4O5/c1-4-37-19-23(33(47)49-3)30-39(24-8-5-6-9-26(24)42-30)13-17-45(34(37)39)28(29-32(37)50-29)22-10-11-27-25(18-22)40-14-16-44-15-7-12-38(35(40)44)20-41(40,36(48)43-27)31(46)21(38)2/h5-12,18,21,28-29,32,34-35,42H,4,13-17,19-20H2,1-3H3,(H,43,48)/t21-,28+,29+,32+,34-,35-,37+,38?,39?,40?,41?/m0/s1 |
| InChIKey | DLXOUMLMKSWHPZ-CSIKQJMQSA-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 | 670.808 g/mol |
| Solvent | Unknown |
| Source File Reference | UWFP179 |