| SpectraBase Compound ID | 9kztJs9qZhZ |
|---|---|
| InChI | InChI=1S/C29H50/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h11-12,20-27H,7-10,13-19H2,1-6H3/b12-11+ |
| InChIKey | YBOHPQYSEDLDAB-VAWYXSNFSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C29H50 |
| Exact Mass | 398.391252 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | SHB2fh5TWq |
|---|---|
| Name | Stigmast-22-ene, (5.alpha.,22E)- |
| Alternate Name(s) | (22E)-Stigmast-22-ene 17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene Stigmast-22-ene, (5.alpha.)- |
| CAS Registry Number | 54412-02-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50 |
| InChI | InChI=1S/C29H50/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h11-12,20-27H,7-10,13-19H2,1-6H3/b12-11+ |
| InChIKey | YBOHPQYSEDLDAB-VAWYXSNFSA-N |
| Molecular Weight | 398.719 g/mol |
| SMILES | CCC(\C=C\C(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C)C(C)C |
| SPLASH | splash10-052b-9532000000-678c77c5f6e6cd362e2a |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 1368830 |