| SpectraBase Spectrum ID |
7n2MTjSAEmH |
| Name |
Cholest-7-en-3-ol, 4,4-dimethyl-, acetate, (3.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.396730912 u |
| Formula |
C31H52O2 |
| InChI |
InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h12,20-21,24-28H,9-11,13-19H2,1-8H3 |
| InChIKey |
KPBRNIXLCMGZJO-UHFFFAOYSA-N |
| Molecular Weight |
456.755 g/mol |
| SMILES |
C[C@]12[C@@]3(C([C@]4([C@@](CC3)(C)[C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])[H])=CCC2C(C)(C)[C@](CC1)(OC(C)=O)[H])[H] |
