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Impurities and reference standards

Vitamin D4

Also known as 22,23-dihydroergocalciferol, 24S-Methylcalciol, 22,23-dihydroercalciol

CAS 511-28-4Formula C28H46OMolar mass 398.68 g/molEC 208-127-5
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard 3 suppliers listed
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Vitamin D4 chemical structure, C28H46O, CAS 511-28-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
511-28-4
Formula
C28H46O
Molar mass
398.68 g/mol
EC number
208-127-5
HS code
290619
Category
Impurities and reference standards

What is Vitamin D4?

Plain description, key identifiers and synonyms

Vitamin D4 is it is present in mushrooms. It has a role as a fungal metabolite. It is a vitamin D and a seco-ergostane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CAS number
511-28-4 CAS number cross-checked
EC number
208-127-5
Molecular formula
C28H46O
UNII
KN41X73N6C
InChIKey
DIPPFEXMRDPFBK-JPWDPSJFSA-N
InChI
InChI=1S/C28H46O/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/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
Canonical SMILES
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCC(C)C(C)C
Isomeric SMILES
C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

Synonyms

  • 22,23-dihydroergocalciferol
  • 24S-Methylcalciol
  • 22,23-dihydroercalciol
  • 22,23-Dihydrovitamin D2
  • (24S)-methylcalciol
  • Vitamin d4 (vd4)
  • (3S)-9,10-seco-5Z,7E,10(19)-ergostatrien-3-ol
  • 9,10-Secocholesta-5,7,10(9)-trien-3-ol, 24-methyl-
  • Ergocalciferol, 22,23-dihydro-
  • (5Z,7E)-(3S)-9,10-Seco-5,7,10(19)-ergostatrien-3-ol
  • Ergocalciferol impurity g
  • (3beta,5Z,7E)-9,10-secoergosta-5,7,10(19)-trien-3-ol
  • (3S,5Z,7E)-9,10-secoergosta-5,7,10(19)-trien-3-ol
  • (5Z,7E)-(3S)-9,10-secoergosta-5,7,10(19)-trien-3-ol
  • (5Z,7E)-9,10-Secoergosta-5,7,10(19)-trien-3beta-ol
  • 9,10-Secoergosta-5,7,10(19)-trien-3-ol, (3beta,5Z,7E)-
  • 22-Dihydroergocalciferol(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-ergostatrien-3-ol(24S)-methylcalciol
  • Cyclohexanol, 4-methylene-3-((2E)-2-((1R,3as,7ar)-octahydro-7a-methyl-1-((1R,4S)-1,4,5-trimethylhexyl)-4H-inden-4-ylidene)ethylidene)-, (1S,3Z)-
  • Ergocalciferol impurity g (ep impurity)
  • 22-Dihydroergocalciferol
  • (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • 9,10-Secoergosta-5(Z),7(E),10(19)-trien-3beta-ol
  • Vitamind3
  • (S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5S)-5,6-dimethylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexanol
  • Ergocalciferol EP Impurity G, Vitamin D4
Show all 27 synonyms
  • 22,23-Dihydroergocalciferol, >=97.0% (HPLC)
  • (1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,4S)-1,4,5-Trimethylhexyl]-4H-inden-4-y lidene]ethylidene]cyclohexanol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
398.68 g/molcalc.
Exact mass
398.3549 Dacalc.
LogP (octanol/water)
7.87calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
6calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.79calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C=C1CCCCC1=CC=C1CCCC2CCCC12

C=C1CCCCC1=CC=C1CCCC2CCCC12

3 rings, 18 atoms.

569 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H330Fatal if inhaled.
  • H372Causes damage to organs through prolonged or repeated exposure.
Precautionary statements (19)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Vitamin D4 suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 1 country

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Vitamin D4 price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

  • eukaryotic metabolite
  • fungal metabolite
  • metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Vitamin D4 is traded under.

HS 2906.19Indicative HS code

Cyclanic, cyclenic or cycloterpenic, other

World exports in 2024
$613M
+18.7% vs 2023, imports $606M
2019 to 2024
Top exporters
  1. China34.2%
  2. India * partner reported10.1%
  3. Germany9.5%
Top importers
  1. United States19.8%
  2. Germany9.0%
  3. India * partner reported8.4%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Vitamin D4 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Vitamin D4, based on the data on this page

What is Vitamin D4?

Vitamin D4 is it is present in mushrooms. It has a role as a fungal metabolite. It is a vitamin D and a seco-ergostane.

What is the CAS number of Vitamin D4?

The CAS registry number of Vitamin D4 is 511-28-4.

What is the molecular formula and weight of Vitamin D4?

The molecular formula of Vitamin D4 is C28H46O and its molar mass is 398.68 g/mol.

What is Vitamin D4 used for?

Known uses and roles of Vitamin D4 include eukaryotic metabolite, fungal metabolite and metabolite.

Is Vitamin D4 hazardous?

Vitamin D4 carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic in contact with skin, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Vitamin D4?

Vitamin D4 is usually classified under HS code 290619 (Cyclanic, cyclenic or cycloterpenic, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vitamin D4?

CompoundList lists 3 suppliers of Vitamin D4 in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Vitamin D4?

Suppliers quote Vitamin D4 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Vitamin D4

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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