| SpectraBase Spectrum ID |
26hRvJFyI64 |
| Name |
3a,3a-Dichloro-2.alpha.,3.alpha.-ethano-3.beta.-methylcholestan-2a-one |
| Alternate Name(s) |
(1R,3aS,3bR,6aS,8aR,9aS,9bS,11aR)-7,7-dichloro-1-[(1R)-1,5-dimethylhexyl]-6a,9a,11a-trimethyloctadecahydro-8H-cyclobuta[h]cyclopenta[a]phenanthren-8-one |
| CAS Registry Number |
69309-30-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H48Cl2O |
| InChI |
InChI=1S/C30H48Cl2O/c1-18(2)8-7-9-19(3)22-12-13-23-21-11-10-20-16-29(6)25(26(33)30(29,31)32)17-28(20,5)24(21)14-15-27(22,23)4/h18-25H,7-17H2,1-6H3/t19-,20?,21+,22-,23+,24+,25+,27-,28+,29+/m1/s1 |
| InChIKey |
DZLHDHZKWZQHFB-ATJCYREKSA-N |
| Molecular Weight |
495.619 g/mol |
| SMILES |
[C@@]12(C(Cl)(Cl)C([C@@]2(C[C@]2(C(C1)CC[C@]1([C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC[C@]21[H])[H])[H])C)[H])=O)C |
| SPLASH |
splash10-03xr-0005900000-46ad4c43b3b741641cc6 |
| Source of Spectrum |
J-44-1379-0 |
| Wiley ID |
1397978 |
