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Steroids and sterols

Deluteval

Also known as Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-pentanoate, mixt. with 17-((1-oxohexyl)oxy)pregn-4-ene-3,20-dione, Pregn-4-ene-3,20-dione, 17-((1-oxohexyl)oxy)-, mixt. with (17beta)-3-hydroxyestra-1,3,5(10)-trien-17-yl pentanoate

CAS 70643-78-6Formula C50H72O7Molar mass 785.12 g/mol
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Deluteval chemical structure, C50H72O7, CAS 70643-78-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
70643-78-6
Formula
C50H72O7
Molar mass
785.12 g/mol
HS code
291590
Category
Steroids and sterols

What is Deluteval?

Plain description, key identifiers and synonyms

Deluteval is a chemical substance with the molecular formula C50H72O7 and a molar mass of 785.12 g/mol. Its CAS registry number is 70643-78-6. The IUPAC name is [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate, [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate, [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
CAS number
70643-78-6
Molecular formula
C50H72O7
InChIKey
ZPHUUJHTOZOTMD-JWMMRIGJSA-N
InChI
InChI=1S/C27H40O4.C23H32O3/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4;1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h17,21-23H,5-16H2,1-4H3;7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t21-,22+,23+,25+,26+,27+;18-,19-,20+,21+,23+/m11/s1
Canonical SMILES
CCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C.CCCCCC(=O)OC1(C(C)=O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C
Isomeric SMILES
CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)C.CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C

Synonyms

  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-pentanoate, mixt. with 17-((1-oxohexyl)oxy)pregn-4-ene-3,20-dione
  • Pregn-4-ene-3,20-dione, 17-((1-oxohexyl)oxy)-, mixt. with (17beta)-3-hydroxyestra-1,3,5(10)-trien-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
785.12 g/molcalc.
Exact mass
784.5278 Dacalc.
LogP (octanol/water)
11.32calc.
Topological polar surface area
107 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
10calc.
Heavy atoms
57calc.
Rings
8calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.76calc.
Formal charge
0calc.
Stereocentres
11calc.
Components
2calc.
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=C1C=C2CCC3C4CCCC4CCC3C2CC1

O=C1C=C2CCC3C4CCCC4CCC3C2CC1

4 rings, 18 atoms.

1,419 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.

Deluteval suppliers

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Deluteval 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 Deluteval is traded under.

HS 2915.90Indicative HS code

Saturated acyclic monocarboxylic acids, anhydrides, halides, peroxides, peroxyacids and halogenated…

World exports in 2024
$3.42B
+5.6% vs 2023, imports $3.55B
2019 to 2024
Top exporters
  1. Indonesia15.9%
  2. Germany13.0%
  3. Malaysia12.4%
Top importers
  1. China14.4%
  2. Netherlands11.7%
  3. United States11.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Deluteval?

Deluteval is a chemical substance with the molecular formula C50H72O7 and a molar mass of 785.12 g/mol. Its CAS registry number is 70643-78-6.

What is the CAS number of Deluteval?

The CAS registry number of Deluteval is 70643-78-6.

What is the molecular formula and weight of Deluteval?

The molecular formula of Deluteval is C50H72O7 and its molar mass is 785.12 g/mol.

Is Deluteval hazardous?

No GHS hazard classification for Deluteval 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 Deluteval?

Deluteval is usually classified under HS code 291590 (Saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Deluteval?

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What is the price of Deluteval?

Suppliers quote Deluteval 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 Deluteval

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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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