Products for Research Use Only
RegisterLogin

Alfacalcidol Impurity 31

CAT: 1299-RM-A060331-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-A060331-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2227309-94-4
Synonyms
(R, Z) -5-hydroxy-3- (((1R,3aR,3'R,4R,7aR) -7a-methyl-1- ((R) -6-methylheptan-2-yl) octahydrospiro[indene-4,2'-oxiran]-3'-yl) methylene) -2-methylenecyclohexan-1-one
Molecular Formula
C27H42O3
Molecular Weight
414.63
Target Alternative Name
Alfacalcidol
Product Name Synonym
(R, Z) -5-hydroxy-3- (((1R,3aR,3'R,4R,7aR) -7a-methyl-1- ((R) -6-methylheptan-2-yl) octahydrospiro[indene-4,2'-oxiran]-3'-yl) methylene) -2-methylenecyclohexan-1-one

Chemical Information

1-Keto-7,8-epoxy-vitamin D3
CAS Number2227309-94-4
PubChem CID169442747
IUPAC Name(3Z,5R)-3-[[(1R,2'R,3aR,4R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]spiro[2,3,3a,5,6,7-hexahydro-1H-indene-4,3'-oxirane]-2'-yl]methylidene]-5-hydroxy-2-methylidenecyclohexan-1-one
Molecular FormulaC27H42O3
Molecular Weight414.6
XLogP6.2
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity722
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@]23[C@H](O3)/C=C\4/C[C@H](CC(=O)C4=C)O)C
InChI
InChI=1S/C27H42O3/c1-17(2)8-6-9-18(3)22-10-11-24-26(22,5)12-7-13-27(24)25(30-27)15-20-14-21(28)16-23(29)19(20)4/h15,17-18,21-22,24-25,28H,4,6-14,16H2,1-3,5H3/b20-15-/t18-,21-,22-,24-,25-,26-,27-/m1/s1
InChIKey
QKBUEEYADZFCDP-PWZKJWAFSA-N
Chemical Structure
2D Structure
2D structure of 1-Keto-7,8-epoxy-vitamin D3
CAS: 2227309-94-4
CID: 169442747
Formula: C27H42O3
MW: 414.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.6
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass414.31339520
Monoisotopic Mass414.31339520
Topological Polar Surface Area49.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity722
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RM-A060348-01Alfacalcidol Impurity 48
RM-A060353-01Alfacalcidol Impurity 53
RM-A060315-01Alfacalcidol Impurity 15
RM-A060311-01Alfacalcidol Impurity 11
RM-A060325-01Alfacalcidol Impurity 25
RM-A060308-01Alfacalcidol Impurity 8
RM-A060309-01Alfacalcidol Impurity 9
RM-A060328-01Alfacalcidol Impurity 28
RM-A060336-01Alfacalcidol Impurity 36
RM-A060343-01Alfacalcidol Impurity 43

Alternative Products

CatalogName
HY-Z9927Alfacalcidol impurity 1
HY-13294-01Impurity C of Alfacalcidol
441132-01Alfacalcidol Impurity C
AR-A05901-01Alfacalcidol Impurity 4
AR-A05902-01Alfacalcidol Impurity 5
AR-A05899-01Alfacalcidol Impurity 2
AR-V01579-01Alfacalcidol EP Impurity A
AR-A05903-01Alfacalcidol Impurity 6
AR-A05900-01Alfacalcidol Impurity 3
A15124-100Impurity C of Alfacalcidol 100mg

Popular Products