Home/Chemicals/50-14-6

Chemical substance record

Vitamin D2

50-14-6C₂₈H₄₄O396.659 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A vitamin D supplement and has been isolated from alfalfa. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	50-14-6	ChEBI ↗
Molecular formula	C₂₈H₄₄O	ChEBI ↗
Molar mass	396.659 g/mol	ChEBI ↗
Monoisotopic mass	396.33922 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:28934	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	396.6 g/mol	PubChem ↗
Exact mass	396.339216023 Da	PubChem ↗
Computed XLogP	7.4	PubChem ↗
Topological polar surface area (Å²)	20.2	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	1	PubChem ↗
Rotatable bonds	5	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Molar masses differ between sources. Check isotope composition, source conventions and the original records before calculating a precise quantity.

Names & structural identifiers

Copy any identifier

Source preferred name

vitamin D2

IUPAC name

(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol

InChIKey

MECHNRXZTMCUDQ-RKHKHRCZSA-N

SMILES

[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CCC/C2=CC=C1C[C@@H](O)CCC1=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/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1

Names & synonyms

(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-olBuco-DDecapsDee-RonDeltalinDiactolDoralDrisdolergocalciferolergocalciferolumErtronGeltabs

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

vitamin DChEBI parent class · 27300 ↗seco-ergostaneChEBI parent class · 36819 ↗hydroxy seco-steroidChEBI parent class · 36853 ↗

lipid organic molecular entity

Roles recorded in ChEBI

antiviral agentantitubercular agentrodenticideantipsychotic agentanalgesichypoglycemic agentcardiovascular drugantineoplastic agentimmunosuppressive agentbone density conservation agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00252106 mol

Uses 396.659 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 28 atoms

84.79%

H

Hydrogen · 44 atoms

11.18%

O

Oxygen · 1 atom

4.03%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Vitamin D2 supplementation amplifies eccentric exercise-induced muscle damage in NASCAR pit crew athletes. ↗Nutrients · 2013 Dec 20 · PMID 24362707

Dietary vitamin D₂--a potentially underestimated contributor to vitamin D nutritional status of adults? ↗The British journal of nutrition · 2014 Jul 28 · PMID 24780068

US1680818 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US1871136 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US1902785 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:28934

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 5280793 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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