| SpectraBase Compound ID | DUFMoprDzrX |
|---|---|
| InChI | InChI=1S/C43H48N4O5/c1-49-30-9-5-7-28-32(30)47-24-39(20-25-21-40-13-18-51-31(40)10-15-45-16-12-43(28,34(25)47)36(40)45)23-46-17-11-42-27-6-3-4-8-29(27)44-33(42)26(35(48)50-2)22-41(37(42)46)14-19-52-38(39)41/h3-9,31,36-38,44H,10-24H2,1-2H3/t31-,36-,37-,38-,39+,40+,41-,42-,43-/m0/s1 |
| InChIKey | ZOHOIFNOQXLADO-ZCYQQEHDSA-N |
| Mol Weight | 700.9 g/mol |
| Molecular Formula | C43H48N4O5 |
| Exact Mass | 700.362471 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A3j9WwAhVgA |
|---|---|
| Name | Anhydrodihydroamatain |
| CAS Registry Number | 31222-09-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H48N4O5 |
| InChI | InChI=1S/C43H48N4O5/c1-49-30-9-5-7-28-32(30)47-24-39(20-25-21-40-13-18-51-31(40)10-15-45-16-12-43(28,34(25)47)36(40)45)23-46-17-11-42-27-6-3-4-8-29(27)44-33(42)26(35(48)50-2)22-41(37(42)46)14-19-52-38(39)41/h3-9,31,36-38,44H,10-24H2,1-2H3/t31-,36-,37-,38-,39+,40+,41-,42-,43-/m0/s1 |
| InChIKey | ZOHOIFNOQXLADO-ZCYQQEHDSA-N |
| Molecular Weight | 700.880 g/mol |
| SMILES | N1c2c([C@]34C1=C(C[C@]15[C@]([C@@]6(CN([C@]41[H])CC3)CC1=C3[C@@]4([C@@]7([C@]8(C1)[C@@](OCC8)(CCN7CC4)[H])[H])c1c(c(OC)ccc1)N3C6)(OCC5)[H])C(=O)OC)cccc2 |
| SPLASH | splash10-000i-0900010000-18004d4a6ae0eac8961c |
| Source of Spectrum | H-60-2849-6 |
| Wiley ID | 1415053 |