| SpectraBase Spectrum ID |
ErcIsb5E9Kb |
| Name |
4'.alpha.-Chloro-2.beta.,3.beta.-dihydrocyclobuta[2,3]-cholestan-3'(4'H)-one |
| Alternate Name(s) |
4'-.alpha.-Chloro-2-.beta.,3.beta.-dihydrocyclobuta[2,3]-cholestan-3'(4'H)-one
(6aS,8R,8aR,9aS,11aR)-8-chloro-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethyloctadecahydro-7H-cyclobuta[h]cyclopenta[a]phenanthren-7-one
4'-.alpha.-Chloro-2-.beta.,3.beta.-dihydrocyclobuta[2,3]-5.alpha.-cholestan-3'(4'H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H47ClO |
| InChI |
InChI=1S/C29H47ClO/c1-17(2)7-6-8-18(3)23-11-12-24-20-10-9-19-15-21-22(26(30)27(21)31)16-29(19,5)25(20)13-14-28(23,24)4/h17-26H,6-16H2,1-5H3/t18-,19?,20?,21+,22-,23?,24?,25?,26-,28-,29+/m1/s1 |
| InChIKey |
UAYSLJQQKGCERC-ZKXNCYQCSA-N |
| Molecular Weight |
447.147 g/mol |
| SMILES |
[C@@]12(C3C(C4CCC([C@]4(CC3)C)[C@@](CCCC(C)C)(C)[H])CCC2C[C@]2([C@@](C1)([C@@](Cl)(C2=O)[H])[H])[H])C |
| SPLASH |
splash10-0a4j-9311200000-a2eb26c76d639d68c933 |
| Source of Spectrum |
F-62-1076-14 |
| Wiley ID |
1632123 |
![4'.alpha.-Chloro-2.beta.,3.beta.-dihydrocyclobuta[2,3]-cholestan-3'(4'H)-one](/api/spectrum/ErcIsb5E9Kb/structure.png?h=300&w=458 "4'.alpha.-Chloro-2.beta.,3.beta.-dihydrocyclobuta[2,3]-cholestan-3'(4'H)-one")
