| SpectraBase Compound ID | HJEQcHZf5JV |
|---|---|
| InChI | InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1 |
| InChIKey | JZUTXVTYJDCMDU-MOPGFXCFSA-N |
| Mol Weight | 383.4 g/mol |
| Molecular Formula | C21H21NO6 |
| Exact Mass | 383.136887 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JwtUialat95 |
|---|---|
| Name | 6,7-Dimethoxy-3-(6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one |
| Alternate Name(s) | (-)-.beta.-Hydrastine (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl]phthalide 1(3H)-isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [s-(R*,S*)]- 6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinoline-5-yl)-1(3H)-isobenzo furan Hydrastine l-.beta.-Hydrastine L-hydrastine Phthalide, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)- [S-(R*,S*)]-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-1(3H)-isobenzofuranone BRN 0098575 EINECS 204-233-0 |
| CAS Registry Number | 118-08-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H21NO6 |
| InChI | InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1 |
| InChIKey | JZUTXVTYJDCMDU-MOPGFXCFSA-N |
| Molecular Weight | 383.400 g/mol |
| SMILES | c1(c2C(O[C@]([C@@]3(N(CCc4c3cc3c(c4)OCO3)C)[H])(c2ccc1OC)[H])=O)OC |
| SPLASH | splash10-0006-1900000000-15eef6d64b78ff86bd2f |
| Source of Spectrum | NP-18-9405-0 |
| Wiley ID | 1111427 |