BGC > Buscar Producto > pre-Calcitriol PTAD adduct | 86307-44-0

Molecular Formula: C35H49N3O5
Molecular Weight: 591.78066

Description:
Impurity C of Calcitriol is the impurity C of Calcitriol, which is the active metabolite of vitamin D3 that activates the vitamin D receptor (VDR).

• Molecular Weight:591.78
• Melting Point:>130 °C (dec.)
• Purity:>98%

Molecular Formula:
C35H49N3O5
Canonical SMILES:
CC1=C(CC(CC1O)O)C2C=C3C4CCC(C4(CCC3N5N2C(=O)N(C5=O)C6=CC=CC=C6)C)C(C)CCCC(C)(C)O
InChI:
InChI=1S/C35H49N3O5/c1-21(10-9-16-34(3,4)43)27-13-14-28-26-20-30(25-18-24(39)19-31(40)22(25)2)38-33(42)36(23-11-7-6-8-12-23)32(41)37(38)29(26)15-17-35(27,28)5/h6-8,11-12,20-21,24,27-31,39-40,43H,9-10,13-19H2,1-5H3/t21-,24-,27-,28+,29-,30+,31+,35-/m1/s1
InChIKey:
AYDPRRXRNSGAGP-ZBKKTSFSSA-N
Appearance:
White to Off-White Solid
Synonyms:
1H,5H-Cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 11-(3,5-dihydroxy-2-methyl-1-cyclohexen-1-yl)-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4aα,6aα,7α(R*),9aβ,11α(3S*,5R*)]]- (9CI)