| SpectraBase Compound ID | FpbzcmxoElR |
|---|---|
| InChI | InChI=1S/C48H52O10/c1-25-15-33(29-13-11-27(51-3)19-39(29)53-5)45-35(17-25)31-21-37(43(57-9)23-41(31)55-7)48(50)46-34(30-14-12-28(52-4)20-40(30)54-6)16-26(2)18-36(46)32-22-38(47(45)49)44(58-10)24-42(32)56-8/h11-14,17-24,33-36,45-46H,15-16H2,1-10H3/t33-,34-,35+,36+,45-,46-/m0/s1 |
| InChIKey | YAUIDCNVXWTHFF-VMADREGGSA-N |
| Mol Weight | 788.9 g/mol |
| Molecular Formula | C48H52O10 |
| Exact Mass | 788.356048 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CGTASOtdWqU |
|---|---|
| Name | Octamethylbrosimone A |
| Alternate Name(s) | 10H,20H-5,9:15,19-Dimethenodibenzo[a,i]cyclohexadecene-10,20-dione, 1,11-bis(2,4-dimethoxyphenyl)-1,2,4a,10a,11,12,14a,20a-octahydro-6,8,16,18-tetramethoxy-3,13-dimethyl-, [1R-(1R*,4aS*,10aS*,11R*,14aS*,20aS*)]- |
| CAS Registry Number | 119280-52-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H52O10 |
| InChI | InChI=1S/C48H52O10/c1-25-15-33(29-13-11-27(51-3)19-39(29)53-5)45-35(17-25)31-21-37(43(57-9)23-41(31)55-7)48(50)46-34(30-14-12-28(52-4)20-40(30)54-6)16-26(2)18-36(46)32-22-38(47(45)49)44(58-10)24-42(32)56-8/h11-14,17-24,33-36,45-46H,15-16H2,1-10H3/t33-,34-,35+,36+,45-,46-/m0/s1 |
| InChIKey | YAUIDCNVXWTHFF-VMADREGGSA-N |
| Molecular Weight | 788.934 g/mol |
| SMILES | [C@@]12(C(c3cc([C@]4(C=C(C)C[C@]([C@@]4(C(c4cc([C@]2(C=C(C[C@]1(c1c(cc(cc1)OC)OC)[H])C)[H])c(cc4OC)OC)=O)[H])(c1c(cc(cc1)OC)OC)[H])[H])c(cc3OC)OC)=O)[H] |
| SPLASH | splash10-001c-0562040900-06dbfcd728dfd56c0f95 |
| Source of Spectrum | F-44-6698-1 |
| Wiley ID | 1417000 |