| SpectraBase Compound ID | K4vPBFDMrj1 |
|---|---|
| InChI | InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25,29H,6-12,14,16-17H2,1-5H3/b28-21-/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | OLTJIGUXZOBJMV-USLCQIDRSA-N |
| Mol Weight | 399.7 g/mol |
| Molecular Formula | C27H45NO |
| Exact Mass | 399.350115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KPB3RqEbgnq |
|---|---|
| Name | (E)-Cholest-1-en-3-one Oxime |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO |
| InChI | InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25,29H,6-12,14,16-17H2,1-5H3/b28-21-/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | OLTJIGUXZOBJMV-USLCQIDRSA-N |
| Molecular Weight | 399.663 g/mol |
| SMILES | O\N=C/1CC2[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(C=C1)C |
| SPLASH | splash10-001i-0009000000-ef0c41ee84ca0410e6b9 |
| Source of Spectrum | KC-1992-430-8 |
| Synonyms | Cholest-1-en-3-one oxime (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one oxime (NE)-N-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine |
| Wiley ID | 776135 |