Description:
5,6-trans Calcitriol is an impurity of Calcitriol, which is the hormonally active form of vitamin D and is the active metabolite of vitamin D3. It is the trans isomer of Calcitriol. It is used as a control product to study calcitriol.
- Molecular Weight: 416.64
- Molecular Formula: C27H44O3
Purity: 98%
Canonical SMILES:
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
InChI:
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10?,21-11+/t18-,22-,23-,24+,25+,27+/m1/s1
InChIKey: GMRQFYUYWCNGIN-QEKNMNSZSA-N
- Boiling Point: 565.0±50.0 °C | Condition: Press: 760 Torr
- Melting Point: >155°C (dec.)
- Solubility: Soluble in Chloroform (Slightly), Methanol (Slightly)
- Appearance: White to Off-White Solid
- Application: Bone Density Conservation Agents
- Storage: Store at -20°C, protect from light, stored under nitrogen
Synonyms:
Calcitriol Impurities A; (5E,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol; (1α,3β,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol; 1α,25-Dihydroxy-5,6-trans-vitamin D3; (1R,3S,E)-5-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol; trans-Calcitriol
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