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Cardiovascular and metabolic drugs

He3286

Also known as Triolex, HE 3286, 3beta,7beta,17beta-Trihydroxy-17alpha-ethynylandrost-5-ene

CAS 1001100-69-1Formula C21H30O3Molar mass 330.47 g/molEC 880-101-1
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He3286 chemical structure, C21H30O3, CAS 1001100-69-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1001100-69-1
Formula
C21H30O3
Molar mass
330.47 g/mol
EC number
880-101-1
HS code
293729
Category
Cardiovascular and metabolic drugs

What is He3286?

Plain description, key identifiers and synonyms

He3286 is a chemical substance with the molecular formula C21H30O3 and a molar mass of 330.47 g/mol. Its CAS registry number is 1001100-69-1. The IUPAC name is (3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol
CAS number
1001100-69-1
EC number
880-101-1
Molecular formula
C21H30O3
UNII
PH8858757I
InChIKey
JJKOQZHWYLMASZ-FJWDNACWSA-N
InChI
InChI=1S/C21H30O3/c1-4-21(24)10-7-16-18-15(6-9-20(16,21)3)19(2)8-5-14(22)11-13(19)12-17(18)23/h1,12,14-18,22-24H,5-11H2,2-3H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
Canonical SMILES
C#CC1(O)CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC21C
Isomeric SMILES
C[C@]12CC[C@@H](CC1=C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C)O)O

Synonyms

  • Triolex
  • HE 3286
  • 3beta,7beta,17beta-Trihydroxy-17alpha-ethynylandrost-5-ene
  • Pregn-5-en-20-yne-3,7,17-triol, (3beta,7beta,17alpha)-
  • 17alpha-ethynyl-5-androstene-3beta,7beta,17beta-triol
  • (1R,3aS,3bR,4R,7S,9aR,9bS,11aS)-1-ethynyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,4,7-triol
  • (1R,3aS,3bR,4R,7S,9aR,9bS,11aS)-1-ethynyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthrene-1,4,7-triol
  • PREGN-5-EN-20-YNE-3,7,17-TRIOL, (3beta,7beta,17.ALPHA.)-
  • Bezisterim
  • (3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol
  • (3beta,7beta,17alpha)-Pregn-5-en-20-yne-3,7,17-triol
  • 17alpha-pregn-5-en-20-yne-3beta,7beta,17-triol
  • 17-ethynyl-5-androstene-3,7,17-triol
  • 17-ethynyl-5-androstene-3, 7, 17-triol
  • NE 3107
  • (3|A,7|A,17|A)-Pregn-5-en-20-yne-3,7,17-triol
  • Pregn-5-en-20-yne-3,7,17-triol, (3|A,7|A,17|A)-

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
330.47 g/molcalc.
Exact mass
330.2195 Dacalc.
LogP (octanol/water)
2.65calc.
Topological polar surface area
60.69 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
24calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.81calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Passes (0 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=C2CCCCC2C2CCC3CCCC3C2C1

C1=C2CCCCC2C2CCC3CCCC3C2C1

4 rings, 17 atoms.

1,163 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.

He3286 suppliers

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He3286 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

Roles

  • PPAR modulator
  • agonist
  • androgen
  • anti-inflammatory agent
  • antidyskinesia agent
  • antiparkinson drug
  • antirheumatic drug
  • hormone
  • hypoglycemic agent
  • insulin-sensitizing drug
  • molecular messenger
  • neuroprotective agent
  • pharmaceutical
  • protective agent
  • sex hormone

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 He3286 is traded under.

HS 2937.29Indicative HS code

Steroidal hormones, their derivatives and structural analogues, other

World exports in 2024
$2.32B
+5.7% vs 2023, imports $2.41B
2019 to 2024
Top exporters
  1. Belgium25.3%
  2. United States24.9%
  3. China13.0%
Top importers
  1. Italy18.0%
  2. Canada13.0%
  3. Belgium12.2%
Reported customs values in USD, not prices.Full trade data

The HS code shown for He3286 is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about He3286, based on the data on this page

What is He3286?

He3286 is a chemical substance with the molecular formula C21H30O3 and a molar mass of 330.47 g/mol. Its CAS registry number is 1001100-69-1. The IUPAC name is (3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol.

What is the CAS number of He3286?

The CAS registry number of He3286 is 1001100-69-1.

What is the molecular formula and weight of He3286?

The molecular formula of He3286 is C21H30O3 and its molar mass is 330.47 g/mol.

What is He3286 used for?

Known uses and roles of He3286 include anti-inflammatories in pharmaceuticals, antidiabetics in pharmaceuticals, cns agents in pharmaceuticals, hormones and steroids in pharmaceuticals, ppar modulator and 14 more.

Is He3286 hazardous?

No GHS hazard classification for He3286 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 He3286?

He3286 is usually classified under HS code 293729 (Steroidal hormones, their derivatives and structural analogues, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy He3286?

Post a free request on CompoundList and suppliers of He3286 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of He3286?

Suppliers quote He3286 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 He3286

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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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