| SpectraBase Spectrum ID |
4t3kRNeklM |
| Name |
3.beta.-Chloro-3.beta.-methyl-2.beta.,3.beta.-dihydrocyclobuta[2,3]-5.alpha.-cholestan-4'(3'H)-one |
| Alternate Name(s) |
(1R,3aS,3bR,5aS,6aS,7R,9aS,9bS,11aR)-7-chloro-1-[(1R)-1,5-dimethylhexyl]-6a,9a,11a-trimethyloctadecahydro-8H-cyclobuta[h]cyclopenta[a]phenanthren-8-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H49ClO |
| InChI |
InChI=1S/C30H49ClO/c1-18(2)8-7-9-19(3)22-12-13-23-21-11-10-20-16-30(6)25(26(32)27(30)31)17-29(20,5)24(21)14-15-28(22,23)4/h18-25,27H,7-17H2,1-6H3/t19-,20+,21+,22-,23+,24+,25?,27+,28-,29+,30+/m1/s1 |
| InChIKey |
XUFSQQLZOIATCC-NFISUMCLSA-N |
| Molecular Weight |
461.174 g/mol |
| SMILES |
[C@]12(C(C(=O)[C@@]2(Cl)[H])C[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(C1)[H])[H])C)C |
| SPLASH |
splash10-0a6r-9503400000-f4729dc0c3cdc2de07d9 |
| Source of Spectrum |
F-62-1077-22 |
| Wiley ID |
1632118 |
![3.beta.-Chloro-3.beta.-methyl-2.beta.,3.beta.-dihydrocyclobuta[2,3]-5.alpha.-cholestan-4'(3'H)-one](/api/spectrum/4t3kRNeklM/structure.png?h=300&w=458 "3.beta.-Chloro-3.beta.-methyl-2.beta.,3.beta.-dihydrocyclobuta[2,3]-5.alpha.-cholestan-4'(3'H)-one")
