| SpectraBase Compound ID | 9QOZaDH42yp |
|---|---|
| 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-UHFFFAOYSA-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 | 3rGoDpHpJfq |
|---|---|
| Name | Vobtusine, 2',3'-didehydro-2'-deoxy- |
| CAS Registry Number | 25662-91-3 |
| 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-UHFFFAOYSA-N |
| Molecular Weight | 700.880 g/mol |
| SMILES | N1C2=C(CC34C(C5(CN6CCC2(c2ccccc12)C36)CC=1CC23CCOC3CCN3CC[C@@]6(c7cccc(c7N(C5)C16)OC)C23)OCC4)C(=O)OC |
| SPLASH | splash10-0ik9-0532092200-73cb4003a47653172d99 |
| Source of Spectrum | T-66-2764-0 |
| Synonyms | Vobtusine, anhydro- |
| Wiley ID | 66301 |