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Ercalcidiol

CAT: 0931-T15242-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T15242-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21343-40-8
Target
Vitamin, Endogenous Metabolite
Related Pathways
Metabolism
Purity
0.9962
Bioactivity
Ercalcidiol [is a metabolite of vitamin D2] and is useful for monitoring vitamin D therapy.
Smiles
C[C@@]12[C@](/C(=C/C=C/3\C(=C)CC[C@H](O)C3)/CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)(C)O)C)C)[H])[H]
Molecular Formula
C28H44O2
Molecular Weight
412.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

25-Hydroxyvitamin D2

25-hydroxyvitamin D2 is a hydroxycalciol that is vitamin D2 in which the hydrogen at position 25 has been replaced by a hydroxy group. It has a role as a bone density conservation agent, a nutraceutical and a human xenobiotic metabolite. It is a vitamin D, a seco-ergostane and a hydroxycalciol. It is functionally related to a vitamin D2.

CAS Number21343-40-8
PubChem CID5710148
IUPAC Name(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Molecular FormulaC28H44O2
Molecular Weight412.6
XLogP6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity725
SMILES
C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
InChI
InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,28-/m1/s1
InChIKey
KJKIIUAXZGLUND-ICCVIKJNSA-N
Chemical Structure
2D Structure
2D structure of 25-Hydroxyvitamin D2
CAS: 21343-40-8
CID: 5710148
Formula: C28H44O2
MW: 412.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.6
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass412.334130642
Monoisotopic Mass412.334130642
Topological Polar Surface Area40.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity725
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TQ0216-01Ercalcitriol

Alternative Products

CatalogName
A3395-10Ercalcidiol
A11413-10Ercalcidiol 10mg
HY-32349RErcalcidiol (Standard)
HY-32349S-01Ercalcidiol-d3
A11413-25Ercalcidiol 25mg
A11413-5Ercalcidiol 5mg
A11413-1Ercalcidiol 1mg
HY-150660SErcalcidiol-13C5
A11413-100Ercalcidiol 100mg
A11413-50Ercalcidiol 50mg

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