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Screening compounds

Uranediol diacetate

Also known as 1,8-Chrysenediol, octadecahydro-2,10a,12a-trimethyl-, diacetate, (1S,2R,4aS,4bR,6aS,8S,10aS,10bS,12aS)-

CAS 4975-29-5Formula C25H40O4Molar mass 404.59 g/mol
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Uranediol diacetate chemical structure, C25H40O4, CAS 4975-29-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4975-29-5
Formula
C25H40O4
Molar mass
404.59 g/mol
HS code
291539
Category
Screening compounds

What is Uranediol diacetate?

Plain description, key identifiers and synonyms

Uranediol diacetate is a chemical substance with the molecular formula C25H40O4 and a molar mass of 404.59 g/mol. Its CAS registry number is 4975-29-5. The IUPAC name is [(2S,4aS,4bS,6aS,7S,8R,10aS,10bR,12aS)-7-acetyloxy-4a,6a,8-trimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-yl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,4aS,4bS,6aS,7S,8R,10aS,10bR,12aS)-7-acetyloxy-4a,6a,8-trimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-yl] acetate
CAS number
4975-29-5
Molecular formula
C25H40O4
UNII
7B73M5IGVC
InChIKey
DMFLSERLLXSZBK-XQYCUZGCSA-N
InChI
InChI=1S/C25H40O4/c1-15-6-9-21-20-8-7-18-14-19(28-16(2)26)10-12-24(18,4)22(20)11-13-25(21,5)23(15)29-17(3)27/h15,18-23H,6-14H2,1-5H3/t15-,18+,19+,20+,21+,22+,23+,24+,25+/m1/s1
Canonical SMILES
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CCC(C)C2OC(C)=O)C1
Isomeric SMILES
C[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1OC(=O)C)C)C)OC(=O)C

Synonyms

  • 1,8-Chrysenediol, octadecahydro-2,10a,12a-trimethyl-, diacetate, (1S,2R,4aS,4bR,6aS,8S,10aS,10bS,12aS)-

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
404.59 g/molcalc.
Exact mass
404.2927 Dacalc.
LogP (octanol/water)
5.53calc.
Topological polar surface area
52.6 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.92calc.
Formal charge
0calc.
Stereocentres
9calc.
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, C1CCC2C(C1)CCC1C3CCCCC3CCC21

C1CCC2C(C1)CCC1C3CCCCC3CCC21

4 rings, 18 atoms, the Chrysene, octadecahydro- ring system.

13 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.

Uranediol diacetate suppliers

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Uranediol diacetate 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

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 Uranediol diacetate is traded under.

HS 2915.39Indicative HS code

Esters of acetic acid, other

World exports in 2024
$2.03B
+7.9% vs 2023, imports $1.95B
2019 to 2024
Top exporters
  1. China58.0%
  2. United States7.3%
  3. Germany6.5%
Top importers
  1. Singapore15.6%
  2. South Korea7.2%
  3. Indonesia6.9%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Uranediol diacetate, based on the data on this page

What is Uranediol diacetate?

Uranediol diacetate is a chemical substance with the molecular formula C25H40O4 and a molar mass of 404.59 g/mol. Its CAS registry number is 4975-29-5. The IUPAC name is [(2S,4aS,4bS,6aS,7S,8R,10aS,10bR,12aS)-7-acetyloxy-4a,6a,8-trimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-yl] acetate.

What is the CAS number of Uranediol diacetate?

The CAS registry number of Uranediol diacetate is 4975-29-5.

What is the molecular formula and weight of Uranediol diacetate?

The molecular formula of Uranediol diacetate is C25H40O4 and its molar mass is 404.59 g/mol.

What is Uranediol diacetate used for?

Known uses and roles of Uranediol diacetate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Uranediol diacetate hazardous?

No GHS hazard classification for Uranediol diacetate 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 Uranediol diacetate?

Uranediol diacetate is usually classified under HS code 291539 (Esters of acetic acid, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Uranediol diacetate?

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

What is the price of Uranediol diacetate?

Suppliers quote Uranediol diacetate 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 Uranediol diacetate

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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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