Products for Research Use Only
RegisterLogin

Alfacalcidol Impurity 11

CAT: 1299-RM-A060311-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-A060311-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
112670-85-6
Synonyms
(((1R,3S, E) -5- (2- ((1R,3aS,7aR, E) -7a-methyl-1- ((R) -6-methylheptan-2-yl) octahydro-4H-inden-4-ylidene) ethylidene) -4-methylenecyclohexane-1,3-diyl) bis (oxy) ) bis (tert-butyldimethylsilane)
Molecular Formula
C39H72O2Si2
Molecular Weight
629.17
Target Alternative Name
Alfacalcidol
Product Name Synonym
(((1R,3S, E) -5- (2- ((1R,3aS,7aR, E) -7a-methyl-1- ((R) -6-methylheptan-2-yl) octahydro-4H-inden-4-ylidene) ethylidene) -4-methylenecyclohexane-1,3-diyl) bis (oxy) ) bis (tert-butyldimethylsilane)

Chemical Information

((1R,3S,E)-5-((E)-2-((1R,3aS,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)dihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy)bis(tert-butyldimethylsilane)
CAS Number112670-85-6
PubChem CID78358053
IUPAC Name[(1S,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
Molecular FormulaC39H72O2Si2
Molecular Weight629.2
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count43
Formal Charge0
Complexity1020
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI
InChI=1S/C39H72O2Si2/c1-28(2)18-16-19-29(3)34-23-24-35-31(20-17-25-39(34,35)11)21-22-32-26-33(40-42(12,13)37(5,6)7)27-36(30(32)4)41-43(14,15)38(8,9)10/h21-22,28-29,33-36H,4,16-20,23-27H2,1-3,5-15H3/b31-21+,32-22+/t29-,33-,34-,35+,36+,39-/m1/s1
InChIKey
YYGPOUVOBLNWHS-YCDCPRPKSA-N
Chemical Structure
2D Structure
2D structure of ((1R,3S,E)-5-((E)-2-((1R,3aS,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)dihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy)bis(tert-butyldimethylsilane)
CAS: 112670-85-6
CID: 78358053
Formula: C39H72O2Si2
MW: 629.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight629.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass628.50708460
Monoisotopic Mass628.50708460
Topological Polar Surface Area18.5 Ų
Heavy Atom Count43
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
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-A060325-01Alfacalcidol Impurity 25
RM-A060308-01Alfacalcidol Impurity 8
RM-A060309-01Alfacalcidol Impurity 9
RM-A060328-01Alfacalcidol Impurity 28
RM-A060304-01Alfacalcidol Impurity 4
RM-A060319-01Alfacalcidol Impurity 19
RM-A060321-01Alfacalcidol Impurity 21

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