| SpectraBase Compound ID | CvzY0bIgqq5 |
|---|---|
| InChI | InChI=1S/C29H47NO4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(30(32)33)26-16-21(34-20(4)31)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-25H,7-17H2,1-6H3 |
| InChIKey | HBNDZPJHNAAEAB-UHFFFAOYSA-N |
| Mol Weight | 473.7 g/mol |
| Molecular Formula | C29H47NO4 |
| Exact Mass | 473.350509 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2C0hDxEFI8 |
|---|---|
| Name | Cholest-5-en-3-ol, 6-nitro-, acetate (ester), (3.beta.)- |
| CAS Registry Number | 1912-54-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H47NO4 |
| InChI | InChI=1S/C29H47NO4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(30(32)33)26-16-21(34-20(4)31)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-25H,7-17H2,1-6H3 |
| InChIKey | HBNDZPJHNAAEAB-UHFFFAOYSA-N |
| Molecular Weight | 473.698 g/mol |
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC1C2CC(=C2C1(CCC(C2)OC(=O)C)C)N(=O)=O)C |
| SPLASH | splash10-0api-9513000000-b11aa295ab953933af37 |
| Source of Spectrum | EP-2288-0-0 |
| Synonyms | 6-Nitrocholest-5-en-3-yl acetate 3.beta.-Acetoxy-6-nitrocholest-5-ene 6-Nitrocholesteryl acetate Cholest-5-en-3-ol, 6-nitro-, acetate, (3.beta.)- Cholest-5-en-3.beta.-ol, 6-nitro-, acetate (ester) Acetic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-(6-methylheptan-2-yl)-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-10,13-dimethyl-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(6-methylheptan-2-yl)-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate EINECS 217-623-0 |
| Wiley ID | 1393665 |