5,6-trans-Vitamin D3

CAT: 0024-sc-474983Size: 2.5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-474983Size:2.5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

22350-41-0

Chemical Information

trans-vitamin D3

5,6-trans-vitamin D3 is a member of the class of D3 vitamins that is calciol in which the double bond at position 5 adopts a trans-configuration. During exposure to sunlight, previtamin D3 and vitamin D3 in the skin become photoisomerized to 5,6-trans-vitamin D3. It has a role as a human metabolite. It is a secondary alcohol, a seco-cholestane, a hydroxy seco-steroid and a member of D3 vitamins. It is functionally related to a calciol.

CAS Number	22350-41-0
PubChem CID	5283711
IUPAC Name	(1S,3E)-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]-4-methylidenecyclohexan-1-ol
Molecular Formula	C27H44O
Molecular Weight	384.6
XLogP	7.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	610

SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C

InChI

InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+/t21-,24+,25-,26+,27-/m1/s1

InChIKey

QYSXJUFSXHHAJI-FVUVGDFOSA-N

Chemical Structure

2D Structure

CAS: 22350-41-0

CID: 5283711

Formula: C27H44O

MW: 384.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	384.6
XLogP3	7.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	384.339216023
Monoisotopic Mass	384.339216023
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	610
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
sc-474009	5,6-trans-Vitamin D2
sc-301973	Vitamin D3 (6,19,19-d3)
sc-504433	3-O- (tert-Butyldimethylsilyl) -5,6-trans-vitamin D2
sc-301972	Vitamin D2 (6,19,19-d3)
sc-475928	Vitamin D3 Decanoate
sc-475005	Vitamin D3 Octanoate
sc-472833	(+/-) -trans Taxifolin-d3
sc-495902	Trans-Doxercalciferol-d3
sc-504580	5,6-trans-Calcitriol
sc-301974	Vitamin K-d7 (5,6,7,8-d4, 2-methyl-d3)

Alternative Products

Catalog	Name
FV182409-01	5,6-trans-Vitamin d2
022840	5,6-trans-Vitamin D3
HY-76542AR-01	5,6-trans-Vitamin D2 (Standard)
TRC-V676065-2.5MG	5,6-trans-Vitamin D3, ~90%
HY-15398AR-01	5,6-trans-Vitamin D3 (Standard)
AR-C02576-01	Cholecalciferol EP Impurity A (5,6-trans-Cholecalciferol,5,6-trans-Vitamin D3)
412831-01	1β-Hydroxy-5,6-trans-vitamin D2
OR1007285-01	1a-Hydroxy-5,6-trans-vitamin D3
TRC-H995905-25MG	1beta-Hydroxy-5,6-trans-vitamin D2
AR-V01599-01	Ergocalciferol (Vitamin D2) EP Impurity A (5,6-trans-Vitamin D2)

5,6-trans-Vitamin D3

Chemical Information

Related Products

Alternative Products

Popular Products