CHOLESTERYL (PYREN-1-YL)-HEXANOATE

CAS No.
96886-70-3
CCD No.
CCD00038855
Formula
C49 H64 O2
MolWeight
685.043

Basic Information

Product Name: CHOLESTERYL (PYREN-1-YL)-HEXANOATE
CAS: 96886-70-3
English Synonyms: 5-CHOLESTEN-3BETA-OL 3-(6-[1-PYRENE])HEXANOATE ; 3BETA-HYDROXY-5-CHOLESTENE 3-(6-[1-PYRENE])HEXANOATE ; CHOLESTERYL (PYREN-1-YL)-HEXANOATE
MDL Number.: MFCD00057699
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)CCCCCc5ccc6ccc7cccc8c7c6c5cc8)C)C
InChi: InChI=1S/C49H64O2/c1-32(2)11-9-12-33(3)42-25-26-43-41-24-22-38-31-39(27-29-48(38,4)44(41)28-30-49(42,43)5)51-45(50)16-8-6-7-13-34-17-18-37-20-19-35-14-10-15-36-21-23-40(34)47(37)46(35)36/h10,14-15,17-23,32-33,39,41-44H,6-9,11-13,16,24-31H2,1-5H3/t33-,39-,41+,42-,43+,44+,48+,49-/m1/s1
InChiKey: InChIKey=YRAVQIYIXJZCDI-FPSZFVJWSA-N

Property

Safety information

WGK Germany: 3

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