![CHOLEST-2-ENO[2,3-B]PYRAZINE-5',6'-DICARBOXYLIC ACID, 2',3'-DIHYDRO-, DIMETHYL ESTER](/api/spectrum/BYupdwkw8z6/structure.png?h=300&w=458 "CHOLEST-2-ENO[2,3-B]PYRAZINE-5',6'-DICARBOXYLIC ACID, 2',3'-DIHYDRO-, DIMETHYL ESTER")
| SpectraBase Compound ID | 5n9TVK9USIj |
|---|---|
| InChI | InChI=1S/C33H52N2O4/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-26-27(18-33(21,5)25(22)15-16-32(23,24)4)35-29(31(37)39-7)28(34-26)30(36)38-6/h19-27H,8-18H2,1-7H3/t20-,21?,22+,23-,24+,25+,26?,27?,32-,33+/m1/s1 |
| InChIKey | RWNXRMRDFBTRQV-HRQHMNKTSA-N |
| Mol Weight | 540.8 g/mol |
| Molecular Formula | C33H52N2O4 |
| Exact Mass | 540.392708 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BYupdwkw8z6 |
|---|---|
| Name | CHOLEST-2-ENO[2,3-B]PYRAZINE-5',6'-DICARBOXYLIC ACID, 2',3'-DIHYDRO-, DIMETHYL ESTER |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 540.392708158 u |
| Formula | C33H52N2O4 |
| InChI | InChI=1S/C33H52N2O4/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-26-27(18-33(21,5)25(22)15-16-32(23,24)4)35-29(31(37)39-7)28(34-26)30(36)38-6/h19-27H,8-18H2,1-7H3/t20-,21?,22+,23-,24+,25+,26?,27?,32-,33+/m1/s1 |
| InChIKey | RWNXRMRDFBTRQV-HRQHMNKTSA-N |
| Molecular Weight | 540.789 g/mol |
| Nominal Mass | 540 u |
| Number of Peaks | 401 |
| SMILES | C12C(C[C@@]3([C@]4(CC[C@@]5([C@](CC[C@]5([C@@]4(CCC3C2)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)N=C(C(=N1)C(=O)OC)C(=O)OC |
| SPLASH | splash10-01q9-5661900000-a119ce9563fcfc8e3b6f |
| Source File Reference | LMCM-79633-752K |
| Synonyms | DIMETHYL 1-(1,5-DIMETHYLHEXYL)-11A,13A-DIMETHYL-2,3,3A,3B,4,5,5A,6,6A,10A,11,11A,11B,12,13,13A-HEXADECAHYDRO-1H-CYCLOPENTA[5,6]NAPHTHO[1,2-G]QUINOXALINE-8,9-DICARBOXYLATE 17,18-dimethyl (1S,2S,5R,6R,9S,10R)-1,5-dimethyl-6-[(2R)-6-methylheptan-2-yl]-16,19-diazapentacyclo[11.8.0.0(2,10).0(5,9).0(15,20)]henicosa-16,18-diene-17,18-dicarboxylate |
| Wiley ID | 8_8575 |