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Hyodeoxycholic acid

Also known as Hyodesoxycholic acid, HDCA, Iodeoxycholic acid

Hyodeoxycholic acid chemical structure, C24H40O4, CAS 83-49-8
2D chemical structure

Key facts

What buyers check first

CAS number
83-49-8
Formula
C24H40O4
Molar mass
392.58 g/mol
EC number
201-483-2
HS code
291819
Category
Steroids and sterols

What is Hyodeoxycholic acid?

Plain description, key identifiers and synonyms

Hyodeoxycholic acid is a member of the class of 5beta-cholanic acids that is (5beta)-cholan-24-oic acid substituted by alpha-hydroxy groups at positions 3 and 6. It is a bioactive compound extracted from Calculus bovis. It has a role as a mouse metabolite and a human metabolite. It is a C24-steroid, a bile acid, a member of 5beta-cholanic acids and a 6alpha,20xi-murideoxycholic acid. It is functionally related to a cholic acid. It is a conjugate acid of a hyodeoxycholate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS number
83-49-8 CAS number cross-checked
EC number
201-483-2
Molecular formula
C24H40O4
UNII
7A33Y6EHYK
MDL number
MFCD00003681
InChIKey
DGABKXLVXPYZII-SIBKNCMHSA-N
InChI
InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
Canonical SMILES
CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
Isomeric SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Synonyms

  • Hyodesoxycholic acid
  • HDCA
  • Iodeoxycholic acid
  • 7-Deoxyhyocholic acid
  • 3alpha,6alpha-Dihydroxy-5beta-cholan-24-oic acid
  • Hyodeoxycholic_acid
  • AHRO-001
  • alpha-Hyodeoxycholic acid
  • 3alpha,6alpha-Dihydroxy-5beta-cholanic acid
  • 3 alpha,6 alpha-dihydroxy-5 beta-cholan-24-oic acid
  • 3alpha,6alpha-Dihydroxy-5beta-cholanoic acid
  • (R)-4-((3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
  • a-Hyodeoxycholic acid
  • Hyodesoxycholsaeure
  • 6-alpha-Hydroxylithocholic acid
  • Hyodesoxycholsaure
  • hyodeoxycholic-acid
  • (R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic Acid
  • 3alpha,6alpha-Dihydroxycholanic acid
  • Cholan-24-oic acid, 3,6-dihydroxy-, (3a,5b,6a)-
  • porcine deoxycholic acid
  • 3alpha,6alpha-Dihydroxy-5 beta-cholan-24-oic acid
  • 5-beta-Cholanic acid-3-alpha,6-alpha-diol
  • 3alpha,6alpha-Dihydroxy-5beta-cholan-24-saeure
  • 4-10-00-01600 (Beilstein Handbook Reference)
Show all 31 synonyms
  • Hyodeoxycholic acid, >=98%
  • 5 beta-Cholan-24-oic acid-3alpha,6alpha-diol
  • 3-alpha,6-alpha-Dihydroxy-5-beta-cholan-24-oic acid
  • HDCA, NSC 60672
  • Cholan-24-oic acid, 3,6-dihydroxy-, (3alpha,5beta,6alpha)-
  • HDCA, alpha-Hyodeoxycholic Acid

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
392.58 g/molcalc.
Exact mass
392.2927 Dacalc.
LogP (octanol/water)
4.48calc.
Topological polar surface area
77.76 ร…ยฒcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
28calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Passes (0 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, C1CCC2C(C1)CCC1C3CCCC3CCC21

C1CCC2C(C1)CCC1C3CCCC3CCC21

4 rings, 17 atoms.

1,694 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off 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

Hyodeoxycholic acid suppliers

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Hyodeoxycholic acid 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

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • mammalian metabolite
  • metabolite
  • mouse 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 Hyodeoxycholic acid is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, theirโ€ฆ

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Hyodeoxycholic acid, based on the data on this page

What is Hyodeoxycholic acid?

Hyodeoxycholic acid is a member of the class of 5beta-cholanic acids that is (5beta)-cholan-24-oic acid substituted by alpha-hydroxy groups at positions 3 and 6. It is a bioactive compound extracted from Calculus bovis. It has a role as a mouse metabolite and a human metabolite.

Is Hyodeoxycholic acid hazardous?

Hyodeoxycholic acid carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

Guides for buyers

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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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