| SpectraBase Compound ID | DO18t5EIZ66 |
|---|---|
| InChI | InChI=1S/C37H38N2O6/c1-38-11-9-23-17-32-33-19-25(23)28(38)15-21-5-7-30(40)26(13-21)27-14-22(6-8-31(27)41-3)16-29-35-24(10-12-39(29)2)18-34(42-4)36(37(35)45-33)44-20-43-32/h5-8,13-14,17-19,28-29,40H,9-12,15-16,20H2,1-4H3/t28-,29+/m1/s1 |
| InChIKey | OUVZTALNXQHCLW-WDYNHAJCSA-N |
| Mol Weight | 606.7 g/mol |
| Molecular Formula | C37H38N2O6 |
| Exact Mass | 606.272987 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FZAEO5pnsNW |
|---|---|
| Name | Medelline |
| Alternate Name(s) | (8R,21S)-16,27-dimethoxy-7,22-dimethyl-29,31,33-trioxa-7,22-diazaoctacyclo[19.11.3.1(4,32).1(10,14).1(15,19).0(3,8).0(25,35).0(28,34)]octatriaconta-1,3,10(38),11,13,15(37),16,18,25,27,32(36),34-dodecaen-13-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H38N2O6 |
| InChI | InChI=1S/C37H38N2O6/c1-38-11-9-23-17-32-33-19-25(23)28(38)15-21-5-7-30(40)26(13-21)27-14-22(6-8-31(27)41-3)16-29-35-24(10-12-39(29)2)18-34(42-4)36(37(35)45-33)44-20-43-32/h5-8,13-14,17-19,28-29,40H,9-12,15-16,20H2,1-4H3/t28-,29+/m1/s1 |
| InChIKey | OUVZTALNXQHCLW-WDYNHAJCSA-N |
| Molecular Weight | 606.719 g/mol |
| SMILES | Oc1c2-c3cc(C[C@]4(c5c6Oc7cc8[C@](N(C)CCc8cc7OCOc6c(cc5CCN4C)OC)(Cc(c2)cc1)[H])[H])ccc3OC |
| SPLASH | splash10-00dl-0902000000-47c8773c976fb9a5d8ce |
| Source of Spectrum | X2-54-676-318 |
| Wiley ID | 1604131 |