| SpectraBase Spectrum ID |
7PwwkPEzpdb |
| Name |
4-BROMO-2,2-DIMETHYLCHOLESTAN-3-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
492.296679197 u |
| Formula |
C29H49BrO |
| InChI |
InChI=1S/C29H49BrO/c1-18(2)9-8-10-19(3)21-13-14-22-20-11-12-24-25(30)26(31)27(4,5)17-29(24,7)23(20)15-16-28(21,22)6/h18-25H,8-17H2,1-7H3/t19-,20+,21-,22+,23+,24?,25?,28-,29-/m1/s1 |
| InChIKey |
NFDGQNURTNDJTL-UZRDFDKGSA-N |
| Molecular Weight |
493.614 g/mol |
| Nominal Mass |
492 u |
| Number of Peaks |
347 |
| SMILES |
C1(C(C[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2C1Br)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)(C)C)=O |
| SPLASH |
splash10-0a5c-9622100000-30c431f1204fd3573957 |
| Source File Reference |
LMCM-94859-185D |
| Synonyms |
4-BROMO-17-(1,5-DIMETHYL-HEXYL)-2,2,10,13-TETRAMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
(1S,2R,10S,11S,14R,15R)-6-bromo-2,4,4,15-tetramethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-one |
| Wiley ID |
8_8274 |
