6-trans-Calcipotriol

Product Name 6-trans-Calcipotriol
Alternate Names Calcipotriol Chiral, Chiral of Calcipotriol
CAT No. CS-O-07466
CAS No. 113082-99-8
Category Chiral
Stock Enquire
Mol. Wt. 412.60 g/mol
Mol. For. C₂₇H₄₀O₃
Hazardous This is a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Calcipotriol
Purity 95%
Smileys C[C@]([C@@]1([H])[C@H](C)/C=C/[C@H](C2CC2)O)(CCC/3)[C@](CC1)([H])C3=C\C=C(C[C@@H](O)C[C@@H]4O)\C4=C
Canonical Smiles CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C
InchIKey LWQQLNNNIPYSNX-GMGGYIQASA-N
Inchl 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
IUPAC (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Controlled No
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