GHS
GHS Classification Search
(11I(2),16I+/-)-16,17-[Butylidenebis(oxy)]-11-hydroxy-21-[(1-oxohexadecyl)oxy]pregna-1,4-diene-3,20-dione
CAS Number: 102638-08-4
IUPAC name: [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] hexadecanoate
Molecular formula: C41H64O7
Molecular weight: 668.9
InChI: InChI=1S/C41H64O7/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-36(45)46-28-34(44)41-35(47-37(48-41)19-6-2)26-32-31-22-21-29-25-30(42)23-24-39(29,3)38(31)33(43)27-40(32,41)4/h23-25,31-33,35,37-38,43H,5-22,26-28H2,1-4H3/t31-,32-,33-,35+,37?,38+,39-,40-,41+/m0/s1
InChIKey: KZHFZMFWUHTKDG-QFDZWVBESA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)OC(O2)CCC
EINECS: -
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