| SpectraBase Compound ID | hRLhsXmHii |
|---|---|
| InChI | InChI=1S/C38H42N2O7/c1-39-17-15-25-21-31(42-3)35(44-5)37-33(25)29(39)19-23-7-11-28(12-8-23)47-38-34-26(22-32(43-4)36(38)45-6)16-18-40(2,41)30(34)20-24-9-13-27(46-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-,40?/m1/s1 |
| InChIKey | BJIBONWGTYBODI-VIUBGJTESA-N |
| Mol Weight | 638.8 g/mol |
| Molecular Formula | C38H42N2O7 |
| Exact Mass | 638.299202 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4LvXqyUu87S |
|---|---|
| Name | Cycleanine - N-oxide |
| Alternate Name(s) | (11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.2(13,16).1(3,7).1(18,22).0(11,36).0(26,35)]hexatriaconta-1(30),3(36),4,6,13,15,18(35),19,21,28,31,33-dodecaene 10-oxide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H42N2O7 |
| InChI | InChI=1S/C38H42N2O7/c1-39-17-15-25-21-31(42-3)35(44-5)37-33(25)29(39)19-23-7-11-28(12-8-23)47-38-34-26(22-32(43-4)36(38)45-6)16-18-40(2,41)30(34)20-24-9-13-27(46-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-,40?/m1/s1 |
| InChIKey | BJIBONWGTYBODI-VIUBGJTESA-N |
| Molecular Weight | 638.761 g/mol |
| SMILES | c12c3c(OC)c(cc2CC[N+]([C@@]1(Cc1ccc(Oc2c4c(CCN([C@@]4(Cc4ccc(O3)cc4)[H])C)cc(c2OC)OC)cc1)[H])([O-])C)OC |
| SPLASH | splash10-03di-0119005000-c3239087df2c86ca8abc |
| Source of Spectrum | X2-50-545-232 |
| Wiley ID | 1602306 |