Catalog Number:
AG00G3OO
Chemical Name:
Impurity C of Alfacalcidol
CAS Number:
82266-85-1
Molecular Formula:
C35H49N3O4
Molecular Weight:
575.7813
MDL Number:
MFCD22124488
IUPAC Name:
(10R,13R,14R)-7-[(3S,5R)-3,5-dihydroxy-2-methylcyclohexen-1-yl]-14-methyl-13-[(2R)-6-methylheptan-2-yl]-4-phenyl-2,4,6-triazatetracyclo[7.7.0.02,6.010,14]hexadec-8-ene-3,5-dione
InChI:
InChI=1S/C35H49N3O4/c1-21(2)10-9-11-22(3)28-14-15-29-27-20-31(26-18-25(39)19-32(40)23(26)4)38-34(42)36(24-12-7-6-8-13-24)33(41)37(38)30(27)16-17-35(28,29)5/h6-8,12-13,20-22,25,28-32,39-40H,9-11,14-19H2,1-5H3/t22-,25-,28-,29+,30?,31?,32+,35-/m1/s1
InChI Key:
PTIHYNIKYFVMFI-UURGVQEHSA-N
SMILES:
CC(CCCC(C1CCC2C1(C)CCC1C2=CC(n2n1c(=O)n(c2=O)c1ccccc1)C1=C(C)C(CC(C1)O)O)C)C
