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Steroids and sterols

Trisekvens

Also known as Trisequens, Kliojest, Trisequens forte

CAS 66100-41-2Formula C58H76O8Molar mass 901.24 g/mol
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Trisekvens chemical structure, C58H76O8, CAS 66100-41-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66100-41-2
Formula
C58H76O8
Molar mass
901.24 g/mol
HS code
291539
Category
Steroids and sterols

What is Trisekvens?

Plain description, key identifiers and synonyms

Trisekvens is a chemical substance with the molecular formula C58H76O8 and a molar mass of 901.24 g/mol. Its CAS registry number is 66100-41-2. The IUPAC name is [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate, (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate, (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
CAS number
66100-41-2
Molecular formula
C58H76O8
InChIKey
MPSOHXLZDRQABN-KOAPPJMKSA-N
InChI
InChI=1S/C22H28O3.C18H24O3.C18H24O2/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3;1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h1,13,17-20H,5-12H2,2-3H3;3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3;3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t17-,18+,19+,20-,21-,22-;13-,14-,15+,16-,17+,18+;14-,15-,16+,17+,18+/m011/s1
Canonical SMILES
C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C.CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2O.CC12CCC3c4ccc(O)cc4CCC3C1CCC2O
Isomeric SMILES
CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O

Synonyms

  • Trisequens
  • Kliojest
  • Trisequens forte

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
901.24 g/molcalc.
Exact mass
900.554 Dacalc.
LogP (octanol/water)
10.25calc.
Topological polar surface area
144.5 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
1calc.
Heavy atoms
66calc.
Rings
12calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
17calc.
Components
3calc.
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.

Trisekvens suppliers

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Trisekvens 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 Trisekvens 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 Trisekvens is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Trisekvens?

Trisekvens is a chemical substance with the molecular formula C58H76O8 and a molar mass of 901.24 g/mol. Its CAS registry number is 66100-41-2.

What is the CAS number of Trisekvens?

The CAS registry number of Trisekvens is 66100-41-2.

What is the molecular formula and weight of Trisekvens?

The molecular formula of Trisekvens is C58H76O8 and its molar mass is 901.24 g/mol.

Is Trisekvens hazardous?

No GHS hazard classification for Trisekvens 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 Trisekvens?

Trisekvens 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 Trisekvens?

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What is the price of Trisekvens?

Suppliers quote Trisekvens 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

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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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