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Steroids and sterols

Dehydroergosterol

Also known as Ergosta-5,7,9(11),22-tetraen-3beta-ol, delta(5,7,9(11)22)-Ergostatetraen-3-ol, (3S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol

CAS 516-85-8Formula C28H42OMolar mass 394.64 g/mol
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Dehydroergosterol chemical structure, C28H42O, CAS 516-85-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
516-85-8
Formula
C28H42O
Molar mass
394.64 g/mol
HS code
290613
Category
Steroids and sterols

What is Dehydroergosterol?

Plain description, key identifiers and synonyms

Dehydroergosterol is a phytosterol consiting of ergostane having double bonds at the 5,6-, 7,8- 9,11- and 22,23-positions as well as a 3beta-hydroxy group. It has a role as a metabolite and a biomarker. It is a 3beta-hydroxy-Delta(5)-steroid, a member of phytosterols, a 3beta-sterol and an ergostanoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS number
516-85-8 CAS number cross-checked
Molecular formula
C28H42O
UNII
123R6KJQ51
MDL number
MFCD00083319
InChIKey
QSVJYFLQYMVBDR-CMNOFMQQSA-N
InChI
InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,14,18-20,22,24-25,29H,11-13,15-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,27-,28+/m0/s1
Canonical SMILES
CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3=CCC21C
Isomeric SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C

Synonyms

  • Ergosta-5,7,9(11),22-tetraen-3beta-ol
  • delta(5,7,9(11)22)-Ergostatetraen-3-ol
  • (3S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
  • (3beta,22E)-ergosta-5,7,9(11),22-tetraen-3-ol
  • Ergosta-5,7,9(11),22-tetraen-3-ol, (3beta,22E)-
  • (3S,10S,13R,14R,17R)-17-((E,2R,5R)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-3-ol
  • Ergosta-5,7,9(11),22-tetraen-3 beta-ol
  • 9(11)-Dehydroergosterol
  • dehydroergosterol (DHE)
  • DHE (Dehydroergosterol)
  • Dehydroergosterol, (+)-
  • (22E)-ergosta-5,7,9(11),22-tetraen-3beta-ol
  • Ergosta-5,7,9(11),22-tetraen-3beta-ol, ~96% (HPLC)
  • (22E,24R)-Ergosta-5,7,9(11),22-tetraen-3beta-ol
  • (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol

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
394.64 g/molcalc.
Exact mass
394.3236 Dacalc.
LogP (octanol/water)
7.25calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
7calc.
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, C1=C2CCCCC2C2=CCC3CCCC3C2=C1

C1=C2CCCCC2C2=CCC3CCCC3C2=C1

4 rings, 17 atoms.

5 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Dehydroergosterol suppliers

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Where suppliers are based

1 supplier in 1 country

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Dehydroergosterol price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • biomarker
  • indicator
  • 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 Dehydroergosterol is traded under.

HS 2906.13Indicative HS code

Sterols and inositols

World exports in 2024
$316M
−12.1% vs 2023, imports $291M
2019 to 2024
Top exporters
  1. China42.0%
  2. United States16.4%
  3. Netherlands9.6%
Top importers
  1. Ecuador * partner reported13.0%
  2. China13.0%
  3. United States9.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Dehydroergosterol, based on the data on this page

What is Dehydroergosterol?

Dehydroergosterol is a phytosterol consiting of ergostane having double bonds at the 5,6-, 7,8- 9,11- and 22,23-positions as well as a 3beta-hydroxy group. It has a role as a metabolite and a biomarker. It is a 3beta-hydroxy-Delta(5)-steroid, a member of phytosterols, a 3beta-sterol and an ergostanoid.

What is the CAS number of Dehydroergosterol?

The CAS registry number of Dehydroergosterol is 516-85-8.

What is the molecular formula and weight of Dehydroergosterol?

The molecular formula of Dehydroergosterol is C28H42O and its molar mass is 394.64 g/mol.

What is Dehydroergosterol used for?

Known uses and roles of Dehydroergosterol include biomarker, indicator and metabolite.

Is Dehydroergosterol hazardous?

No GHS hazard classification for Dehydroergosterol is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Dehydroergosterol?

Dehydroergosterol is usually classified under HS code 290613 (Sterols and inositols). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dehydroergosterol?

CompoundList lists 1 supplier of Dehydroergosterol in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Dehydroergosterol?

Suppliers quote Dehydroergosterol 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 Dehydroergosterol

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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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