OTH-489 / CAS-000910-31-6 / Cholesteryl chloride

Name: (3S,8S,9S,10R,13R,14S,17R)-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Formula: C₂₇H₄₅Cl

Molar mass: 405.106 Da

Monoisotopic mass: 404.321 Da

SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)Cl)C)C

InChI Key: OTVRYZXVVMZHHW-DPAQBDIFSA-N

InChI: 1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

Typical retention indexes:
- ECL on BPX70: 31.936