| SpectraBase Spectrum ID |
3cZMkNJJxx2 |
| Name |
3.BETA.-ACETOXY-5.BETA.-CHOLESTAN-5-OL |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
446.375995467 u |
| Formula |
C29H50O3 |
| InChI |
InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(31)18-22(32-21(4)30)12-16-28(29,6)26(23)14-15-27(24,25)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+/m1/s1 |
| InChIKey |
XGBHFLNWQIPOQW-GEKZLSDOSA-N |
| Molecular Weight |
446.716 g/mol |
| Nominal Mass |
446 u |
| Number of Peaks |
64 |
| SMILES |
O[C@@]12C[C@](CC[C@@]1([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)(OC(=O)C)[H] |
| SPLASH |
splash10-001i-6209000000-02fbd4745b2c2c88eeb8 |
| Source File Reference |
LMCM-14077-793D |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
5-HYDROXYCHOLESTAN-3-YL ACETATE
(3S,5S,8S,9S,10R,13R,14S,17R)-5-hydroxy-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
| Wiley ID |
4_160 |
