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Steroids and sterols

Itrocinonide

Also known as Itrocinonida, Androsta-1,4-diene-17-carboxylicacid, 16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11-hydroxy-3-oxo-,(1S)-1-[(ethoxycarbonyl)oxy]ethyl ester, (6a,11b,16a,17a)-

CAS 106033-96-9Formula C29H38F2O9Molar mass 568.61 g/mol
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Itrocinonide chemical structure, C29H38F2O9, CAS 106033-96-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
106033-96-9
Formula
C29H38F2O9
Molar mass
568.61 g/mol
HS code
293299
Category
Steroids and sterols

What is Itrocinonide?

Plain description, key identifiers and synonyms

Itrocinonide is a chemical substance with the molecular formula C29H38F2O9 and a molar mass of 568.61 g/mol. Its CAS registry number is 106033-96-9. The IUPAC name is [(1S)-1-ethoxycarbonyloxyethyl] (1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S)-1-ethoxycarbonyloxyethyl] (1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylate
CAS number
106033-96-9 CAS number cross-checked
Molecular formula
C29H38F2O9
UNII
2ZW8NEP6PQ
InChIKey
GCELVROFGZYBHY-JUVXQCODSA-N
InChI
InChI=1S/C29H38F2O9/c1-6-8-23-39-22-13-17-18-12-20(30)19-11-16(32)9-10-26(19,4)28(18,31)21(33)14-27(17,5)29(22,40-23)24(34)37-15(3)38-25(35)36-7-2/h9-11,15,17-18,20-23,33H,6-8,12-14H2,1-5H3/t15-,17-,18-,20-,21-,22+,23+,26-,27-,28-,29-/m0/s1
Canonical SMILES
CCCC1OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)OC(C)OC(=O)OCC)O1
Isomeric SMILES
CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(=O)C=C[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)C(=O)O[C@H](C)OC(=O)OCC)C)O)F)C)F

Synonyms

  • Itrocinonida
  • Androsta-1,4-diene-17-carboxylicacid, 16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11-hydroxy-3-oxo-,(1S)-1-[(ethoxycarbonyl)oxy]ethyl ester, (6a,11b,16a,17a)-

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
568.61 g/molcalc.
Exact mass
568.2484 Dacalc.
LogP (octanol/water)
4.26calc.
Topological polar surface area
117.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
6calc.
Heavy atoms
40calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.76calc.
Formal charge
0calc.
Stereocentres
11calc.
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, O=C1C=CC2C(=C1)CCC1C2CCC2C1CC1OCOC12

O=C1C=CC2C(=C1)CCC1C2CCC2C1CC1OCOC12

5 rings, 21 atoms.

180 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.

Itrocinonide suppliers

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Itrocinonide 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 Itrocinonide is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Itrocinonide?

Itrocinonide is a chemical substance with the molecular formula C29H38F2O9 and a molar mass of 568.61 g/mol. Its CAS registry number is 106033-96-9.

What is the CAS number of Itrocinonide?

The CAS registry number of Itrocinonide is 106033-96-9.

What is the molecular formula and weight of Itrocinonide?

The molecular formula of Itrocinonide is C29H38F2O9 and its molar mass is 568.61 g/mol.

Is Itrocinonide hazardous?

No GHS hazard classification for Itrocinonide 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 Itrocinonide?

Itrocinonide is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Itrocinonide?

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What is the price of Itrocinonide?

Suppliers quote Itrocinonide 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 Itrocinonide

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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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