| SpectraBase Spectrum ID |
97B0H4557rC |
| Name |
1-METHYLCHOLESTAN-3-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
400.370516165 u |
| Formula |
C28H48O |
| InChI |
InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)24-12-13-25-23-11-10-21-17-22(29)16-20(4)28(21,6)26(23)14-15-27(24,25)5/h18-21,23-26H,7-17H2,1-6H3/t19-,20?,21?,23+,24-,25+,26+,27-,28+/m1/s1 |
| InChIKey |
ISADDWKEOLGOGP-CTOLIQQBSA-N |
| Molecular Weight |
400.691 g/mol |
| Nominal Mass |
400 u |
| Number of Peaks |
298 |
| SMILES |
C1(CC([C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)C)=O |
| SPLASH |
splash10-053r-9721000000-b2cd569f5d6e703eda45 |
| Source File Reference |
LMCM-75612-546K |
| Synonyms |
17-(1,5-DIMETHYL-HEXYL)-1,10,13-TRIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
(1S,2S,10S,11S,14R,15R)-2,3,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-one |
| Wiley ID |
8_8245 |
