| SpectraBase Compound ID | 3ZZvNCSKp5O |
|---|---|
| InChI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21?,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | KZJWDPNRJALLNS-QPMPSIPTSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C29H50O |
| Exact Mass | 414.386166 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DW1ywj0Fq0t |
|---|---|
| Name | (3beta,24xi)-stigmast-5-en-3-ol |
| Alternate Name(s) | 24-Ethylcholesterol 24.alpha.-Ethylcholesterol Sitosterol stigmast-5-en-3-ol Stigmast-5-en-3.beta.-ol (8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol EINECS 242-776-5 |
| CAS Registry Number | 19044-06-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O |
| InChI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21?,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | KZJWDPNRJALLNS-QPMPSIPTSA-N |
| Molecular Weight | 414.718 g/mol |
| SMILES | OC1CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCC(C(C)C)CC)(C)[H])[H])[H])C)[H])C |
| SPLASH | splash10-0a4m-9823200000-c177a316b4582994b319 |
| Source of Spectrum | F-30-4101-18 |
| Wiley ID | 1375783 |