![(4'R,4'aS,13'bS)-4'-bromanyl-11',12'-dimethoxy-spiro[1,3-dioxolane-2,3'-2,4,4a,5,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline]-6'-one](/api/spectrum/1Kex7EfU6LN/structure.png?h=300&w=458 "(4'R,4'aS,13'bS)-4'-bromanyl-11',12'-dimethoxy-spiro[1,3-dioxolane-2,3'-2,4,4a,5,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline]-6'-one")
| SpectraBase Compound ID | LHzBvbTlbHm |
|---|---|
| InChI | InChI=1S/C20H24BrNO5/c1-24-15-9-12-3-6-22-17(23)11-14-18(21)20(26-7-8-27-20)5-4-19(14,22)13(12)10-16(15)25-2/h9-10,14,18H,3-8,11H2,1-2H3/t14-,18-,19-/m1/s1 |
| InChIKey | KPRLHQXBMNHFRX-NIKGAXFTSA-N |
| Mol Weight | 438.32 g/mol |
| Molecular Formula | C20H24BrNO5 |
| Exact Mass | 437.083786 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1Kex7EfU6LN |
|---|---|
| Name | (4'R,4'aS,13'bS)-4'-bromanyl-11',12'-dimethoxy-spiro[1,3-dioxolane-2,3'-2,4,4a,5,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline]-6'-one |
| Alternate Name(s) | (4'R,4'aS,13'bS)-4'-bromo-11',12'-dimethoxy-6'-spiro[1,3-dioxolane-2,3'-2,4,4a,5,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline]one (4'R,4'aS,13'bS)-4'-bromo-11',12'-dimethoxy-spiro[1,3-dioxolane-2,3'-2,4,4a,5,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline]-6'-one (4'R,4'aS,13'bS)-4'-bromo-11',12'-dimethoxy-spiro[1,3-dioxolane-2,3'-2,4,4a,5,8,9-hexahydro-1H-indol[7a,1-a]isoquinoline]-6'-one |
| CAS Registry Number | 70635-82-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H24BrNO5 |
| InChI | InChI=1S/C20H24BrNO5/c1-24-15-9-12-3-6-22-17(23)11-14-18(21)20(26-7-8-27-20)5-4-19(14,22)13(12)10-16(15)25-2/h9-10,14,18H,3-8,11H2,1-2H3/t14-,18-,19-/m1/s1 |
| InChIKey | KPRLHQXBMNHFRX-NIKGAXFTSA-N |
| Molecular Weight | 438.318 g/mol |
| SMILES | [C@@]123N(C(=O)C[C@@]3([C@@](Br)(C3(CC1)OCCO3)[H])[H])CCc1c2cc(c(OC)c1)OC |
| SPLASH | splash10-0a4i-0059300000-8b4e377dc1908263b197 |
| Source of Spectrum | K-112-1119-0 |
| Wiley ID | 1383755 |