SpectraBase Spectrum ID |
2JiKpKiKKJ5 |
Name |
CHOLESTAN-2-ONE |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
386.354866100 u |
Formula |
C27H46O |
InChI |
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(28)17-27(20,5)25(22)15-16-26(23,24)4/h18-20,22-25H,6-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26-,27+/m1/s1 |
InChIKey |
RHEVDIMHCWCAIX-PMYUOVRYSA-N |
Molecular Weight |
386.664 g/mol |
Nominal Mass |
386 u |
Number of Peaks |
300 |
SMILES |
C1C(C[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)=O |
SPLASH |
splash10-001i-9862000000-dc5769e97832c70220cc |
Source File Reference |
LMCM-37776-364S |
Synonyms |
17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-2-ONE
(1S,2S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-4-one |
Wiley ID |
8_8631 |