| SpectraBase Compound ID | BCv0cf1dwoy |
|---|---|
| InChI | InChI=1S/C58H60O4/c1-59-55-47-39-15-41-33-9-25-21-5-19(23(25)7-31(33)39)27-11-35-37(13-29(21)27)45-17-43(35)51-53(45)58(62-4)54-46-18-44(52(54)57(51)61-3)36-12-28-20-6-22(30(28)14-38(36)46)26-10-34-32(8-24(20)26)40-16-42(34)50(48(40)55)56(60-2)49(41)47/h19-22,31-46H,5-18H2,1-4H3/t19-,20+,21+,22-,31-,32-,33-,34+,35+,36-,37+,38-,39+,40-,41-,42+,43-,44+,45+,46-/m0/s1 |
| InChIKey | KQLKTNQBPDUOQN-UHFFFAOYSA-N |
| Mol Weight | 821.1 g/mol |
| Molecular Formula | C58H60O4 |
| Exact Mass | 820.44916 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C2BUIhCSmEi |
|---|---|
| Name | Hexacosahydro-5,11,20,26-tetramethoxy-1,4 : 2,16 : 3,15 : 6,25 : 8,23 : 10,21 : 12,19 : 14,17-octamethano-undecacene-tetramethanoheptacene |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C58H60O4 |
| InChI | InChI=1S/C58H60O4/c1-59-55-47-39-15-41-33-9-25-21-5-19(23(25)7-31(33)39)27-11-35-37(13-29(21)27)45-17-43(35)51-53(45)58(62-4)54-46-18-44(52(54)57(51)61-3)36-12-28-20-6-22(30(28)14-38(36)46)26-10-34-32(8-24(20)26)40-16-42(34)50(48(40)55)56(60-2)49(41)47/h19-22,31-46H,5-18H2,1-4H3/t19-,20+,21+,22-,31-,32-,33-,34+,35+,36-,37+,38-,39+,40-,41-,42+,43-,44+,45+,46-/m0/s1 |
| InChIKey | KQLKTNQBPDUOQN-UHFFFAOYSA-N |
| Molecular Weight | 821.114 g/mol |
| SMILES | C12=C3C4CC2C2=C4CC4C5c6c(c7C8C9CC%10=C(CC9C(c7c(c6C(C4C2)C5)OC)C8)C2C=4CC5C6c7c(c8C9C(C1)C(C(c8c(c7C(C5CC4C%10C2)C6)OC)C9)C3)OC)OC |
| SPLASH | splash10-03k9-0090200070-606b26c5dd5c2ac3543a |
| Source of Spectrum | U-1997-513-1 |
| Wiley ID | 769642 |