| SpectraBase Compound ID | 43KPgK3NGO |
|---|---|
| InChI | InChI=1S/C37H40N2O6/c1-38-13-11-25-18-32(42-3)33-20-27(25)28(38)15-22-5-7-23(8-6-22)21-44-37-34(43-4)19-26-12-14-39(2)29(35(26)36(37)41)16-24-9-10-30(40)31(17-24)45-33/h5-10,17-20,28-29,40-41H,11-16,21H2,1-4H3/t28-,29?/m0/s1 |
| InChIKey | AKLNQRORJGMFLS-XLTVJXRZSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C37H40N2O6 |
| Exact Mass | 608.288637 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 78zmG6kerNy |
|---|---|
| Name | Cissampentin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H40N2O6 |
| InChI | InChI=1S/C37H40N2O6/c1-38-13-11-25-18-32(42-3)33-20-27(25)28(38)15-22-5-7-23(8-6-22)21-44-37-34(43-4)19-26-12-14-39(2)29(35(26)36(37)41)16-24-9-10-30(40)31(17-24)45-33/h5-10,17-20,28-29,40-41H,11-16,21H2,1-4H3/t28-,29?/m0/s1 |
| InChIKey | AKLNQRORJGMFLS-XLTVJXRZSA-N |
| Molecular Weight | 608.735 g/mol |
| SMILES | Oc1ccc2cc1Oc1cc3[C@](Cc4ccc(COc5c(cc6CCN(C(c6c5O)C2)C)OC)cc4)(N(CCc3cc1OC)C)[H] |
| SPLASH | splash10-0002-0190000000-4c22e55aba896bcdacdf |
| Source of Spectrum | F-49-1342-1 |
| Synonyms | (1S)-25,34-dimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2(3,6).2(9,12).1(18,22).0(11,16).0(27,31)]heptatriaconta-3,5,9,11,18(37),19,21,24,26,31,33,35-dodecaene-10,21-diol |
| Wiley ID | 1410780 |