| SpectraBase Compound ID | 8H8mRDAKWuB |
|---|---|
| InChI | InChI=1S/C30H40N2O7/c1-17(33)37-16-18-14-24-25-20(19-10-8-9-11-23(19)31-25)12-13-32(24)26(34)21(18)15-22(27(35)38-29(2,3)4)28(36)39-30(5,6)7/h8-11,18,21-22,24,31H,12-16H2,1-7H3/t18-,21-,24-/m1/s1 |
| InChIKey | YBQKXVXTDOYSNA-MEKIYTOJSA-N |
| Mol Weight | 540.7 g/mol |
| Molecular Formula | C30H40N2O7 |
| Exact Mass | 540.283552 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ft3MpczA0OX |
|---|---|
| Name | 17-Norcorynan-18,18-dicarboxylic acid, 16-(acetyloxy)-21-oxo-, bis(1,1-dimethylethyl) ester, (15.beta.)-(.+-.)- |
| CAS Registry Number | 78419-71-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H40N2O7 |
| InChI | InChI=1S/C30H40N2O7/c1-17(33)37-16-18-14-24-25-20(19-10-8-9-11-23(19)31-25)12-13-32(24)26(34)21(18)15-22(27(35)38-29(2,3)4)28(36)39-30(5,6)7/h8-11,18,21-22,24,31H,12-16H2,1-7H3/t18-,21-,24-/m1/s1 |
| InChIKey | YBQKXVXTDOYSNA-MEKIYTOJSA-N |
| Molecular Weight | 540.657 g/mol |
| SMILES | [nH]1c2ccccc2c2CCN3[C@@](c12)(C[C@@]([C@](C3=O)(CC(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)[H])(COC(=O)C)[H])[H] |
| SPLASH | splash10-003r-0546910000-fb7a00725d1b8c2b33e6 |
| Source of Spectrum | K-114-1916-0 |
| Synonyms | 17-Norcorynan-18,18-dicarboxylic acid, 16-(acetyloxy)-21-oxo-, bis(1,1-dimethylethyl) ester, (3.beta.)-(.+-.)- di(tert-butyl) 2-({(2S,3R,12bR)-2-[(acetyloxy)methyl]-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl}methyl)malonate Di-tert-butylester of[2.beta.-(Acetoxymethyl)-1,2,3,4,6,7,12,12b.beta.-octahydro-4-oxoindolo[2,3-a]quinolizin-3.beta.-ylmethyl]malonic acid Di-tert-butylester of[2.beta.-(acetoxymethyl)-1,2,3,4,6,7,12,12b.beta.-octahydro-4-oxoindolo[2,3-a]quinolizin-3.alpha.-ylmethyl]malonic acid Indolo[2,3-a]quinolizine, 17-norcorynan-18,18-dicarboxylic acid deriv. |
| Wiley ID | 1404647 |