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Steroids and sterols

Distigmasteryl ether

Also known as Stigmasta-5,22-diene, 3,3'-oxybis-, (3beta,22E)-(3'beta,22'E)-

CAS 113527-64-3Formula C58H94OMolar mass 807.39 g/mol
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Distigmasteryl ether chemical structure, C58H94O, CAS 113527-64-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
113527-64-3
Formula
C58H94O
Molar mass
807.39 g/mol
HS code
290920
Category
Steroids and sterols

What is Distigmasteryl ether?

Plain description, key identifiers and synonyms

Distigmasteryl ether is a chemical substance with the molecular formula C58H94O and a molar mass of 807.39 g/mol. Its CAS registry number is 113527-64-3. The IUPAC name is (3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3-[[(3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3-[[(3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CAS number
113527-64-3
Molecular formula
C58H94O
InChIKey
BYZVJNOEEBEBBB-UXMBIPMDSA-N
InChI
InChI=1S/C58H94O/c1-13-41(37(3)4)17-15-39(7)49-23-25-51-47-21-19-43-35-45(27-31-55(43,9)53(47)29-33-57(49,51)11)59-46-28-32-56(10)44(36-46)20-22-48-52-26-24-50(58(52,12)34-30-54(48)56)40(8)16-18-42(14-2)38(5)6/h15-20,37-42,45-54H,13-14,21-36H2,1-12H3/b17-15+,18-16+/t39-,40-,41-,42-,45+,46+,47?,48?,49-,50-,51?,52?,53?,54?,55+,56+,57-,58-/m1/s1
Canonical SMILES
CCC(C=CC(C)C1CCC2C3CC=C4CC(OC5CCC6(C)C(=CCC7C6CCC6(C)C(C(C)C=CC(CC)C(C)C)CCC76)C5)CCC4(C)C3CCC12C)C(C)C
Isomeric SMILES
CC[C@@H](C(C)C)/C=C/[C@H]([C@@H]1[C@@]2(C(C3C([C@@]4(C(=CC3)C[C@H](CC4)O[C@@H]5CC6=CCC7C([C@]6(CC5)C)CC[C@]8(C7CC[C@@H]8[C@@H](/C=C/[C@H](C(C)C)CC)C)C)C)CC2)CC1)C)C

Synonyms

  • Stigmasta-5,22-diene, 3,3'-oxybis-, (3beta,22E)-(3'beta,22'E)-

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
807.39 g/molcalc.
Exact mass
806.7305 Dacalc.
LogP (octanol/water)
16.65calc.
Topological polar surface area
9.23 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
12calc.
Heavy atoms
59calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
18calc.
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, C1=C2CC(OC3CCC4C(=CCC5C6CCCC6CCC45)C3)CCC2C2CCC3CCCC3C2C1

C1=C2CC(OC3CCC4C(=CCC5C6CCCC6CCC45)C3)CCC2C2CCC3CCCC3C2C1

8 rings, 35 atoms.

2 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.

Distigmasteryl ether suppliers

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Distigmasteryl ether 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 Distigmasteryl ether is traded under.

HS 2909.20Indicative HS code

Cyclanic, cyclenic or cycloterpenic ethers and their halogenated, sulphonated, nitrated…

World exports in 2024
$57.7M
+10.8% vs 2023, imports $59.7M
2019 to 2024
Top exporters
  1. China41.5%
  2. United States13.2%
  3. Germany9.5%
Top importers
  1. United States15.0%
  2. Spain8.3%
  3. China8.2%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Distigmasteryl ether, based on the data on this page

What is Distigmasteryl ether?

Distigmasteryl ether is a chemical substance with the molecular formula C58H94O and a molar mass of 807.39 g/mol. Its CAS registry number is 113527-64-3.

What is the CAS number of Distigmasteryl ether?

The CAS registry number of Distigmasteryl ether is 113527-64-3.

What is the molecular formula and weight of Distigmasteryl ether?

The molecular formula of Distigmasteryl ether is C58H94O and its molar mass is 807.39 g/mol.

Is Distigmasteryl ether hazardous?

No GHS hazard classification for Distigmasteryl ether 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 Distigmasteryl ether?

Distigmasteryl ether is usually classified under HS code 290920 (Cyclanic, cyclenic or cycloterpenic ethers and their halogenated, sulphonated, nitrated…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Distigmasteryl ether?

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What is the price of Distigmasteryl ether?

Suppliers quote Distigmasteryl ether 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 Distigmasteryl ether

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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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