| SpectraBase Compound ID | DYIkWJcWXew |
|---|---|
| InChI | InChI=1S/C18H17NO7/c1-8(20)25-13-4-3-10-11-5-14-15(24-7-23-14)6-12(11)18(22)19-16(10)17(13)26-9(2)21/h3,5-6,13,16-17H,4,7H2,1-2H3,(H,19,22)/t13-,16-,17-/m1/s1 |
| InChIKey | KTDMJHBTESZDJM-KBRIMQKVSA-N |
| Mol Weight | 359.33 g/mol |
| Molecular Formula | C18H17NO7 |
| Exact Mass | 359.100502 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KRAiFKwAjlb |
|---|---|
| Name | (3R,4R,4aS)-Dimethyl 7a,10a-Methylenedioxy-2,3,4,4a,5,6-hexahydro-6-oxophenanthridine-3,4-dicarboxylate |
| Alternate Name(s) | (3R,4S,4aR)-3,4-diacetoxy-7a,10a-Methylenedioxy-2,3,4,4a,5,6-hexahydro-6-oxophenanthridine 3,4-Diacetoxy-7a,10a-Methylenedioxy-2,3,4,4a,5,6-hexahydro-6-oxophenanthridine Dimethyl (3R,4R,4aS)-6-oxo-2,3,4,4a,5,6-hexahydro[1,3]dioxolo[4,5-j]phenanthridine-3,4-dicarboxylate Dimethyl 7a,10a-Methylenedioxy-2,3,4,4a,5,6-hexahydro-6-oxophenanthridine-3,4-dicarboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H17NO7 |
| InChI | InChI=1S/C18H17NO7/c1-8(20)25-13-4-3-10-11-5-14-15(24-7-23-14)6-12(11)18(22)19-16(10)17(13)26-9(2)21/h3,5-6,13,16-17H,4,7H2,1-2H3,(H,19,22)/t13-,16-,17-/m1/s1 |
| InChIKey | KTDMJHBTESZDJM-KBRIMQKVSA-N |
| Molecular Weight | 359.334 g/mol |
| SMILES | N1C(c2c(C=3[C@@]1([C@@]([C@@](CC3)(OC(=O)C)[H])(OC(=O)C)[H])[H])cc1c(c2)OCO1)=O |
| SPLASH | splash10-052u-0090000000-c792cac508a8c311aa91 |
| Source of Spectrum | KC-0-3515-13 |
| Wiley ID | 782705 |