| SpectraBase Spectrum ID |
28a4YOdjSFC |
| Name |
3.BETA.-HYDROXY-5.ALPHA.-CHOLESTAN-6-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
402.349780719 u |
| Formula |
C27H46O2 |
| InChI |
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,26-,27-/m1/s1 |
| InChIKey |
JQMQKOQOLPGBBE-ZNCJEFCDSA-N |
| Molecular Weight |
402.663 g/mol |
| Nominal Mass |
402 u |
| Number of Peaks |
58 |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC([C@]2(C1)[H])=O)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-0udj-9430500000-5c90f7bb1e5d95e1e59d |
| Source File Reference |
LMCM-47654-622Y |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3-HYDROXYCHOLESTAN-6-ONE
(3S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)tetradecahydro-1H-cyclopenta[a]phenanthren-6(10H)-one |
| Wiley ID |
4_418 |
