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Steroids and sterols

Cymegesolate

Also known as Progestin I, Progestagen I, pregna-4,6-dien-20-one,17-(acetyloxy)-3-(3-cyclopentyl-1-oxopropoxy)-6-methyl-, (3-beta)-

CAS 72648-88-5Formula C32H46O5Molar mass 510.72 g/mol
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Cymegesolate chemical structure, C32H46O5, CAS 72648-88-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72648-88-5
Formula
C32H46O5
Molar mass
510.72 g/mol
HS code
291620
Category
Steroids and sterols

What is Cymegesolate?

Plain description, key identifiers and synonyms

Cymegesolate is a chemical substance with the molecular formula C32H46O5 and a molar mass of 510.72 g/mol. Its CAS registry number is 72648-88-5. The IUPAC name is [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
CAS number
72648-88-5 CAS number cross-checked
Molecular formula
C32H46O5
UNII
4D9TFH8PLX
InChIKey
WAHQVRCNDCHDIB-QZYSPNBYSA-N
InChI
InChI=1S/C32H46O5/c1-20-18-25-26(13-16-31(5)27(25)14-17-32(31,21(2)33)37-22(3)34)30(4)15-12-24(19-28(20)30)36-29(35)11-10-23-8-6-7-9-23/h18-19,23-27H,6-17H2,1-5H3/t24-,25+,26-,27-,30+,31-,32-/m0/s1
Canonical SMILES
CC(=O)OC1(C(C)=O)CCC2C3C=C(C)C4=CC(OC(=O)CCC5CCCC5)CCC4(C)C3CCC21C
Isomeric SMILES
CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@H](CC4)OC(=O)CCC5CCCC5)C

Synonyms

  • Progestin I
  • Progestagen I
  • pregna-4,6-dien-20-one,17-(acetyloxy)-3-(3-cyclopentyl-1-oxopropoxy)-6-methyl-, (3-beta)-
  • [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
  • Pregna-4,6-dien-20-one, 17-(acetyloxy)-3-(3-cyclopentyl-1-oxopropoxy)-6-methyl-, (3-beta)-
  • (3beta)-17-(Acetyloxy)-3-(3-cyclopentyl-1-oxopropoxy)-6-methylpregna-4,6-dien-20-one
  • 17-(Acetyloxy)-6-methyl-20-oxopregna-4,6-dien-3beta-yl 3-cyclopentylpropanoate
  • [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]3-cyclopentylpropanoate
  • Pregna-4,6-dien-20-one, 17-(acetyloxy)-3-(3-cyclopentyl-1-oxopropoxy)-6-methyl-, (3beta)-

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
510.72 g/molcalc.
Exact mass
510.3345 Dacalc.
LogP (octanol/water)
6.89calc.
Topological polar surface area
69.67 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
37calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.78calc.
Formal charge
0calc.
Stereocentres
7calc.
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=C(CCC1CCCC1)OC1C=C2C=CC3C4CCCC4CCC3C2CC1

O=C(CCC1CCCC1)OC1C=C2C=CC3C4CCCC4CCC3C2CC1

5 rings, 27 atoms.

No other chemical in our database has 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.

Cymegesolate suppliers

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Cymegesolate 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 Cymegesolate is traded under.

HS 2916.20Indicative HS code

Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…

World exports in 2024
$489M
−6.1% vs 2023, imports $608M
2019 to 2024
Top exporters
  1. China45.5%
  2. India * partner reported18.6%
  3. Japan11.2%
Top importers
  1. Brazil20.3%
  2. United States15.7%
  3. India * partner reported12.8%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Cymegesolate?

Cymegesolate is a chemical substance with the molecular formula C32H46O5 and a molar mass of 510.72 g/mol. Its CAS registry number is 72648-88-5.

What is the CAS number of Cymegesolate?

The CAS registry number of Cymegesolate is 72648-88-5.

What is the molecular formula and weight of Cymegesolate?

The molecular formula of Cymegesolate is C32H46O5 and its molar mass is 510.72 g/mol.

Is Cymegesolate hazardous?

No GHS hazard classification for Cymegesolate 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 Cymegesolate?

Cymegesolate is usually classified under HS code 291620 (Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cymegesolate?

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What is the price of Cymegesolate?

Suppliers quote Cymegesolate 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 Cymegesolate

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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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