Products for Research Use Only

Previtamin-D2

CAT: 1459-CS-T-60761Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-60761Size:1 Each
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Description
Previtamin-D2 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Ergocalciferol. The product is supplied by Clearsynth under CAT No. CS-T-60761. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
21307-05-1
Synonyms
Previtamin-D2
Molecular Formula
C 28 H 44 O
Molecular Weight
396.65
Additionnal Information
Previtamin-D2 is supplied with detailed characterization data compliant with regulatory guideline. Previtamin-D2 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Ergocalciferol.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

previtamin D2
CAS Number21307-05-1
PubChem CID9547229
IUPAC Name(1S)-3-[(Z)-2-[(1R,3aR,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
Molecular FormulaC28H44O
Molecular Weight396.6
XLogP7.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity691
SMILES
CC1=C(C[C@H](CC1)O)/C=C\C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C
InChI
InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h8-10,12-13,19-20,22,25-27,29H,7,11,14-18H2,1-6H3/b10-9+,13-12-/t20-,22+,25-,26+,27-,28+/m0/s1
InChIKey
XQFJZHAVTPYDIQ-BIADAZNZSA-N
Chemical Structure
2D Structure
2D structure of previtamin D2
CAS: 21307-05-1
CID: 9547229
Formula: C28H44O
MW: 396.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight396.6
XLogP37.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass396.339216023
Monoisotopic Mass396.339216023
Topological Polar Surface Area20.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity691
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