19-IODOCHOLESTEROL 3-ACETATE

CAS No.
4561-90-4
CCD No.
CCD00038109
Formula
C29 H47 I O2
MolWeight
554.588

Basic Information

Product Name: 19-IODOCHOLESTEROL 3-ACETATE
CAS: 4561-90-4
English Synonyms: 19-IODOCHOLESTEROL 3-ACETATE ; 19-IODO-5-CHOLESTEN-3BETA-OL 3-ACETATE ; 5-CHOLESTEN-19-IODO-3BETA-OL 3-ACETATE
MDL Number.: MFCD00056449
H bond acceptor: 2
H bond donor: 0
Smile: CC(C)CCC[C@@H](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)C)CI)C
InChi: InChI=1S/C29H47IO2/c1-19(2)7-6-8-20(3)25-11-12-26-24-10-9-22-17-23(32-21(4)31)13-16-29(22,18-30)27(24)14-15-28(25,26)5/h9,19-20,23-27H,6-8,10-18H2,1-5H3/t20-,23+,24+,25-,26+,27+,28-,29-/m1/s1
InChiKey: InChIKey=LVQSCLBKGHGMFF-KVHJHAPGSA-N

Property

Safety information

WGK Germany: 3

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