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Cholesteryl chloroformate

Catalog Number ACM7144083
CAS Number 7144-08-3
Structure
Synonyms Cholest-5-ene-3-beta-yl chloroformate
IUPAC Name [(3S,8S,9S,10R,13R,14S,17R)-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]phenanthren-3-yl] carbonochloridate
Molecular Weight 449.12
Molecular Formula C28H45ClO2
Canonical 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)OC(=O)Cl)C)C
InChI InChI=1S/C28H45ClO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-26(29)30)13-15-27(20,4)25(22)14-16-28(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,27+,28-/m1/s1
InChI Key QNEPTKZEXBPDLF-JDTILAPWSA-N
Boiling Point 556.5 ºC
Melting Point 115-117 ºC (lit.)
Flash Point 203.1ºC
Purity 98%+
Density 0.934 g/ml
Appearance white powder