| SpectraBase Compound ID | A1TdrpA9I6D |
|---|---|
| InChI | InChI=1S/C33H42N4O4/c1-12-22-21(6)31(39)36(9)28(22)15-26-19(4)17(2)24(34-26)14-25-18(3)20(5)27(35-25)16-29-23(13-30(38)41-11)33(7,8)32(40)37(29)10/h14-16,23,34H,12-13H2,1-11H3/b25-14+,28-15+,29-16+ |
| InChIKey | DNKAOSDZTOSMCJ-UNRIWXSCSA-N |
| Mol Weight | 558.7 g/mol |
| Molecular Formula | C33H42N4O4 |
| Exact Mass | 558.320606 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7MSUCglTMVR |
|---|---|
| Name | 21H-Biline-3-acetic acid, 17-ethyl-1,2,3,19,23,24-hexahydro-2,2,7,8,12,13,18,21,24-nonamethyl-1 ,19-dioxo-, methyl ester, (4E,15E)-(.+-.)- |
| CAS Registry Number | 87233-17-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H42N4O4 |
| InChI | InChI=1S/C33H42N4O4/c1-12-22-21(6)31(39)36(9)28(22)15-26-19(4)17(2)24(34-26)14-25-18(3)20(5)27(35-25)16-29-23(13-30(38)41-11)33(7,8)32(40)37(29)10/h14-16,23,34H,12-13H2,1-11H3/b25-14+,28-15+,29-16+ |
| InChIKey | DNKAOSDZTOSMCJ-UNRIWXSCSA-N |
| Molecular Weight | 558.723 g/mol |
| SMILES | [nH]1c(c(c(c1\C=C/1N=C(\C=C/2N(C(=O)C(C2CC(=O)OC)(C)C)C)C(=C1C)C)C)C)\C=C/1N(C(=O)C(=C1CC)C)C |
| SPLASH | splash10-0aba-9110000000-36541e1ead81b628215c |
| Source of Spectrum | AH-114-770-0 |
| Synonyms | 21H-Biline-3-acetic acid, 17-ethyl-1,2,3,19,23,24-hexahydro-2,2,7,8,12,13,18,21,24-nonamethyl-1 ,19-dioxo-, methyl ester, (4E)-(.+-.)- Methyl ((2E)-2-{[(2E)-2-({5-[(E)-(3-ethyl-1,4-dimethyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl}methylene)-3,4-dimethyl-2H-pyrrol-5-yl]methylene}-1,4,4-trimethyl-5-oxopyrrolidinyl)acetate rac-(5E,9Z,15E)-17-Ethyl-1,19-dioxo-methoxycarbonylmethyl-2,2,7,8,12,13,18,21,24-nonamethyl-1,2,3,19,23,24-hexahydro-21H-biline rac-(5E,9Z,15Z)-17-Ethyl-1,19-dioxo-methoxycarbonylmethyl-2,2,7,8,12,13,18,21,24-nonamethyl-1,2,3,19,23,24-hexahydro-21H-biline |
| Wiley ID | 1406591 |