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About This Item
Empirical Formula (Hill Notation):
C27H44O2
CAS Number:
Molecular Weight:
400.64
UNSPSC Code:
12352205
NACRES:
NA.21
MDL number:
Assay:
≥99% (LC/MS)
Form:
powder
Quality Segment
assay
≥99% (LC/MS)
form
powder
manufacturer/tradename
Calbiochem®
storage condition
OK to freeze
color
white
solubility
ethanol: 10 mg/mL
shipped in
wet ice
storage temp.
−20°C
SMILES string
O[C@H]1CCC(=C)\C(=C/C=C2/[C@H]3[C@@]([C@H](CC3)[C@@H](CCCC(O)(C)C)C)(CCC/2)C)\C1
InChI
1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
InChI key
JWUBBDSIWDLEOM-DTOXIADCSA-N
General description
Metabolite of vitamin D3 via a single cytochrome P450-mediated hydroxylation. Further metabolized to 1α, 25-dihydroxy vitamin D by a second cytochrome P450-mediated hydroxylation. A major circulating metabolite of vitamin D3.
Packaging
Packaged under inert gas
Preparation Note
Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 4 months at -20°C.
Other Notes
DeLuca, H.F., and Schnoes, H.K. 1983. Annu. Rev. Biochem.52, 411.
Due to the nature of the Hazardous Materials in this shipment, additional shipping charges may be applied to your order. Certain sizes may be exempt from the additional hazardous materials shipping charges. Please contact your local sales office for more information regarding these charges.
Legal Information
CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany
Disclaimer
Toxicity: Toxic & Carcinogenic / Teratogenic (G)
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 2 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral - STOT RE 1 Oral
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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