CAS No. 112827-99-3

Molecular Formula: C27H40O3
Molecular Weight: 412.6047

Description:
An impurity of Calcipotriol, which is a ligand of VDR-like receptors.

• Molecular Weight: 412.6
• Molecular Formula: C27H40O3

Purity: 95%

Canonical SMILES:
CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C

InChI:
InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25+,26+,27-/m1/s1

InChIKey: LWQQLNNNIPYSNX-CIJZWTHJSA-NSynonyms:
PRI 2202; PRI2202; PRI-2202; 24R-Calcipotriol; (24R)-Calcipotriene

More details are to be found on supplier website