| SpectraBase Spectrum ID |
AtlbmXirb0M |
| Name |
3-HYDROXYCHOLESTAN-5-YL ACETATE |
| CAS Registry Number |
41721-93-1 |
| 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(32-21(4)30)18-22(31)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 |
HBEWKQFSPOXTPI-JNDVAAQDSA-N |
| Molecular Weight |
446.716 g/mol |
| Nominal Mass |
446 u |
| Number of Peaks |
292 |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(C1)OC(C)=O)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-0a4l-9823000000-1bcfd16a8e2bd2c6e67e |
| Source File Reference |
LMCM-92061-233X |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
(1S,2R,5S,7R,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-7-yl acetate |
| Wiley ID |
8_19090 |
