SpectraBase Spectrum ID |
dSNlIXmU4 |
Name |
2.alpha.-Bromo-1.alpha.,4,4-trimethyl-5.alpha.-cholestan-3-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C30H51BrO |
InChI |
InChI=1S/C30H51BrO/c1-18(2)10-9-11-19(3)22-13-14-23-21-12-15-25-28(5,6)27(32)26(31)20(4)30(25,8)24(21)16-17-29(22,23)7/h18-26H,9-17H2,1-8H3/t19-,20+,21+,22-,23+,24+,25+,26-,29-,30-/m1/s1 |
InChIKey |
ACQHQEJHZBMVEV-RXDFNMKNSA-N |
Molecular Weight |
507.641 g/mol |
SMILES |
[C@@]12([C@](C(C)(C)C([C@@]([C@@]2(C)[H])(Br)[H])=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C |
SPLASH |
splash10-069u-9000310000-3c4ae13496c9cc052f70 |
Source of Spectrum |
KC-1992-1853-14 |
Synonyms |
(1alpha,2alpha,5alpha)-2-bromo-1,4,4-trimethylcholestan-3-one |
Wiley ID |
776572 |