| SpectraBase Compound ID | 6jLxDt7rdfJ |
|---|---|
| InChI | InChI=1S/C26H38O4/c1-16(5-10-24(29)30-4)20-8-9-21-19-7-6-18-13-23(28)17(15-27)14-26(18,3)22(19)11-12-25(20,21)2/h14-16,18-22H,5-13H2,1-4H3/t16-,18-,19+,20-,21+,22+,25-,26+/m1/s1 |
| InChIKey | HDWYDBAAVKSMJV-LRUXHOGTSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C26H38O4 |
| Exact Mass | 414.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7jwVrFRFP1w |
|---|---|
| Name | Methyl 2-Formyl-3-oxo-5-.beta.-chol-1-en-24-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H38O4 |
| InChI | InChI=1S/C26H38O4/c1-16(5-10-24(29)30-4)20-8-9-21-19-7-6-18-13-23(28)17(15-27)14-26(18,3)22(19)11-12-25(20,21)2/h14-16,18-22H,5-13H2,1-4H3/t16-,18-,19+,20-,21+,22+,25-,26+/m1/s1 |
| InChIKey | HDWYDBAAVKSMJV-LRUXHOGTSA-N |
| Molecular Weight | 414.586 g/mol |
| SMILES | [C@]12(C=C(C=O)C(C[C@]2(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCC(=O)OC)(C)[H])[H])[H])[H])[H])=O)C |
| SPLASH | splash10-000i-0009000000-e25b2b61a78af800acdd |
| Source of Spectrum | SK-31-1217-Methyl ester of 5 |
| Synonyms | (4R)-4-[(5R,8S,9S,10S,13R,14S,17R)-2-formyl-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester (4R)-4-[(5R,8S,9S,10S,13R,14S,17R)-2-methanoyl-10,13-dimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester |
| Wiley ID | 881855 |