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Steroids and sterols

Vestalin

Also known as 17-Hydroxy-17alpha-19-norpregna-5(10),20-dien-3-one--17alpha-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol (1/1), 17-Hydroxy-19-norpregna-5(10),20-dien-3-one--19-norpregna-1(10),2,4-trien-20-yne-3,17-diol (1/1), 19-Norpregna-5(10),20-dien-3-one, 17-hydroxy-, (17alpha)-, mixt. with (17alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol

CAS 8064-75-3Formula C40H52O4Molar mass 596.85 g/mol
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Vestalin chemical structure, C40H52O4, CAS 8064-75-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
8064-75-3
Formula
C40H52O4
Molar mass
596.85 g/mol
HS code
291440
Category
Steroids and sterols

What is Vestalin?

Plain description, key identifiers and synonyms

Vestalin is a chemical substance with the molecular formula C40H52O4 and a molar mass of 596.85 g/mol. Its CAS registry number is 8064-75-3. The IUPAC name is (8R,9S,13S,14S,17R)-17-ethenyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one, (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(8R,9S,13S,14S,17R)-17-ethenyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one, (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CAS number
8064-75-3 CAS number cross-checked
Molecular formula
C40H52O4
InChIKey
JNZOKRGHUFPSQF-AQNHYYQESA-N
InChI
InChI=1S/C20H28O2.C20H24O2/c2*1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h3,16-18,22H,1,4-12H2,2H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t2*16-,17-,18+,19+,20+/m11/s1
Canonical SMILES
C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C.C=CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C=C)O)CCC4=C3CCC(=O)C4.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O

Synonyms

  • 17-Hydroxy-17alpha-19-norpregna-5(10),20-dien-3-one--17alpha-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol (1/1)
  • 17-Hydroxy-19-norpregna-5(10),20-dien-3-one--19-norpregna-1(10),2,4-trien-20-yne-3,17-diol (1/1)
  • 19-Norpregna-5(10),20-dien-3-one, 17-hydroxy-, (17alpha)-, mixt. with (17alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol

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
596.85 g/molcalc.
Exact mass
596.3866 Dacalc.
LogP (octanol/water)
7.8calc.
Topological polar surface area
77.76 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
44calc.
Rings
8calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
10calc.
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=C1CCC2=C(CCC3C2CCC2CCCC23)C1

O=C1CCC2=C(CCC3C2CCC2CCCC23)C1

4 rings, 18 atoms.

22 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.

Vestalin suppliers

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Vestalin 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 Vestalin is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Vestalin?

Vestalin is a chemical substance with the molecular formula C40H52O4 and a molar mass of 596.85 g/mol. Its CAS registry number is 8064-75-3.

What is the CAS number of Vestalin?

The CAS registry number of Vestalin is 8064-75-3.

What is the molecular formula and weight of Vestalin?

The molecular formula of Vestalin is C40H52O4 and its molar mass is 596.85 g/mol.

Is Vestalin hazardous?

No GHS hazard classification for Vestalin 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 Vestalin?

Vestalin is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vestalin?

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What is the price of Vestalin?

Suppliers quote Vestalin 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 Vestalin

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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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