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Steroids and sterols

Magnesium dehydrocholate

Also known as Magnesium bis(3,7,12-trioxo-5beta-cholan-24-oate), Cholan-24-oic acid, 3,7,12-trioxo-, magnesium salt, (5beta)-, Magnesium bis(3,7,12-trioxocholan-24-oate)

CAS 7786-84-7Formula C48H66MgO10Molar mass 827.35 g/molEC 232-105-4
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Magnesium dehydrocholate chemical structure, C48H66MgO10, CAS 7786-84-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7786-84-7
Formula
C48H66MgO10
Molar mass
827.35 g/mol
EC number
232-105-4
HS code
291830
Category
Steroids and sterols

What is Magnesium dehydrocholate?

Plain description, key identifiers and synonyms

Magnesium dehydrocholate is a chemical substance with the molecular formula C48H66MgO10 and a molar mass of 827.35 g/mol. Its CAS registry number is 7786-84-7. The IUPAC name is magnesium bis((4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
magnesium bis((4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate)
CAS number
7786-84-7 CAS number cross-checked
EC number
232-105-4
Molecular formula
C48H66MgO10
UNII
0ELP4NGB7D
InChIKey
JKWGGYRLJAHBMT-IOTIMKOBSA-L
InChI
InChI=1S/2C24H34O5.Mg/c2*1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h2*13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;;+2/p-2/t2*13-,14+,16-,17+,18+,22+,23+,24-;/m11./s1
Canonical SMILES
CC(CCC(=O)[O-])C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.CC(CCC(=O)[O-])C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.[Mg+2]
Isomeric SMILES
C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C.C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C.[Mg+2]

Synonyms

  • Magnesium bis(3,7,12-trioxo-5beta-cholan-24-oate)
  • Cholan-24-oic acid, 3,7,12-trioxo-, magnesium salt, (5beta)-
  • Magnesium bis(3,7,12-trioxocholan-24-oate)
  • Magnesium bis((5.beta.)-3,7,12-trioxocholan-24-oate)
  • Bis(3,7,12-trioxo-5beta-cholan-24-oic acid)magnesium salt
  • Cholan-24-oic acid, 3,7,12-trioxo-, magnesium salt, (5.beta.)- (2:1)
  • Magnesium (4R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-17-yl)pentanoate

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
827.35 g/molcalc.
Exact mass
826.4506 Dacalc.
LogP (octanol/water)
5.1calc.
Topological polar surface area
182.7 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
8calc.
Heavy atoms
59calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
Formal charge
0calc.
Stereocentres
16calc.
Components
3calc.
Lipinski rule of five
Fails (2 violations)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, O=C1CCC2C(C1)CC(=O)C1C3CCCC3C(=O)CC21

O=C1CCC2C(C1)CC(=O)C1C3CCCC3C(=O)CC21

4 rings, 20 atoms.

19 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.

Magnesium dehydrocholate suppliers

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Magnesium dehydrocholate 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Magnesium dehydrocholate is traded under.

HS 2918.30Indicative HS code

Carboxylic acids with aldehyde or ketone function but without other oxygen function…

World exports in 2024
$813M
−39.8% vs 2023, imports $1.23B
2019 to 2024
Top exporters
  1. China43.3%
  2. India * partner reported10.4%
  3. United States6.8%
Top importers
  1. Singapore33.1%
  2. Germany7.2%
  3. Japan6.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Magnesium dehydrocholate, based on the data on this page

What is Magnesium dehydrocholate?

Magnesium dehydrocholate is a chemical substance with the molecular formula C48H66MgO10 and a molar mass of 827.35 g/mol. Its CAS registry number is 7786-84-7.

What is the CAS number of Magnesium dehydrocholate?

The CAS registry number of Magnesium dehydrocholate is 7786-84-7.

What is the molecular formula and weight of Magnesium dehydrocholate?

The molecular formula of Magnesium dehydrocholate is C48H66MgO10 and its molar mass is 827.35 g/mol.

Is Magnesium dehydrocholate hazardous?

No GHS hazard classification for Magnesium dehydrocholate 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 Magnesium dehydrocholate?

Magnesium dehydrocholate is usually classified under HS code 291830 (Carboxylic acids with aldehyde or ketone function but without other oxygen function…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Magnesium dehydrocholate?

Post a free request on CompoundList and suppliers of Magnesium dehydrocholate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Magnesium dehydrocholate?

Suppliers quote Magnesium dehydrocholate 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 Magnesium dehydrocholate

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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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