| SpectraBase Spectrum ID |
8I8zHUGsNVS |
| Name |
3-Buten-1-one, 1-[(5.alpha.)-cholest-2-en-3-yl]- |
| Alternate Name(s) |
Cholestane, 3-buten-1-one deriv.
1-[(5alpha)-cholest-2-en-3-yl]-3-buten-1-one
3-(1-oxo-3-butenyl)cholestene |
| CAS Registry Number |
111036-50-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H50O |
| InChI |
InChI=1S/C31H50O/c1-7-9-29(32)23-16-18-30(5)24(20-23)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h7,16,21-22,24-28H,1,8-15,17-20H2,2-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey |
QRTREQIFCBDZCT-GTPODGLVSA-N |
| Molecular Weight |
438.740 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC=C(C(=O)CC=C)C4)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-000j-0008900000-8f8707e6f882d50b293e |
| Source of Spectrum |
AJ-60-1844-15 |
| Wiley ID |
1384340 |
![3-Buten-1-one, 1-[(5.alpha.)-cholest-2-en-3-yl]-](/api/spectrum/8I8zHUGsNVS/structure.png?h=300&w=458 "3-Buten-1-one, 1-[(5.alpha.)-cholest-2-en-3-yl]-")
