| SpectraBase Compound ID | 6AVgu9MYaAt |
|---|---|
| InChI | InChI=1S/C29H47NO2/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-17-27(30-32-7)26-16-21(31)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,17-21,23-26,31H,10-16H2,1-7H3/b9-8+,30-27+ |
| InChIKey | SKNAIYNVHXSBNF-JIZWLQTASA-N |
| Mol Weight | 441.7 g/mol |
| Molecular Formula | C29H47NO2 |
| Exact Mass | 441.36068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B0SoAWfls6S |
|---|---|
| Name | Ergosta-7,22-dien-6-one, 3-hydroxy-, O-methyloxime, (3.beta.,5.alpha.,22E)- |
| Alternate Name(s) | (22E)-3-Hydroxyergosta-7,22-dien-6-one o-methyloxime (6E)-10,13-dimethyl-6-methyloximino-17-[(E)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol (6E)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-6-methoxyimino-10,13-dimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol (6E)-6-methoxyimino-10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol |
| CAS Registry Number | 53336-26-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H47NO2 |
| InChI | InChI=1S/C29H47NO2/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-17-27(30-32-7)26-16-21(31)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,17-21,23-26,31H,10-16H2,1-7H3/b9-8+,30-27+ |
| InChIKey | SKNAIYNVHXSBNF-JIZWLQTASA-N |
| Molecular Weight | 441.700 g/mol |
| SMILES | OC1CCC2(C3CCC4(C(CCC4C3=C\C(=N/OC)C2C1)C(C)\C=C\C(C)C(C)C)C)C |
| SPLASH | splash10-0006-6033900000-389968ed606e5a1b2518 |
| Source of Spectrum | O-9-104-1 |
| Wiley ID | 1385128 |