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Steroids and sterols

Orestrate

Also known as Orestrato, [(8R,9S,13S,14S,17S)-17-(cyclohexen-1-yloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] propanoate, Orestratum

CAS 13885-31-9Formula C27H36O3Molar mass 408.58 g/mol
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Orestrate chemical structure, C27H36O3, CAS 13885-31-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
13885-31-9
Formula
C27H36O3
Molar mass
408.58 g/mol
HS code
291550
Category
Steroids and sterols

What is Orestrate?

Plain description, key identifiers and synonyms

Orestrate is a chemical substance with the molecular formula C27H36O3 and a molar mass of 408.58 g/mol. Its CAS registry number is 13885-31-9. The IUPAC name is [(8R,9S,13S,14S,17S)-17-(cyclohexen-1-yloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] propanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(8R,9S,13S,14S,17S)-17-(cyclohexen-1-yloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] propanoate
CAS number
13885-31-9 CAS number cross-checked
Molecular formula
C27H36O3
UNII
G9VC23W7W0
InChIKey
VYAXJSIVAVEVHF-RYIFMDQWSA-N
InChI
InChI=1S/C27H36O3/c1-3-26(28)30-20-10-12-21-18(17-20)9-11-23-22(21)15-16-27(2)24(23)13-14-25(27)29-19-7-5-4-6-8-19/h7,10,12,17,22-25H,3-6,8-9,11,13-16H2,1-2H3/t22-,23-,24+,25+,27+/m1/s1
Canonical SMILES
CCC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(OC3=CCCCC3)CCC12
Isomeric SMILES
CCC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OC5=CCCCC5)C

Synonyms

  • Orestrato
  • [(8R,9S,13S,14S,17S)-17-(cyclohexen-1-yloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] propanoate
  • Orestratum
  • 17beta-(1-Cyclohexenyloxy)-1,3,5(10)-estratrien-3-yl propionat
  • 17beta-(Cyclohexen-1-yloxy)estra-1,3,5(10)-trien-3-ol propionate
  • 17beta(Cyclohexen-1-yloxy)-estra-1,3,5(10)-trien-3-ol propionate
  • 1,3,5(10)-Estratrien-3-ol, 17beta-(1-cyclohexenyloxy)-, propionate
  • 17beta-[(Cyclohex-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl propanoate

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
408.58 g/molcalc.
Exact mass
408.2664 Dacalc.
LogP (octanol/water)
6.7calc.
Topological polar surface area
35.53 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)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=C(OC2CCC3C2CCC2c4ccccc4CCC23)CCCC1

C1=C(OC2CCC3C2CCC2c4ccccc4CCC23)CCCC1

5 rings, 24 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.

Orestrate suppliers

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Orestrate 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 Orestrate is traded under.

HS 2915.50Indicative HS code

Propionic acid, its salts and esters

World exports in 2024
$421M
+3.2% vs 2023, imports $422M
2019 to 2024
Top exporters
  1. United States26.5%
  2. China22.5%
  3. Netherlands14.6%
Top importers
  1. Netherlands15.2%
  2. India * partner reported7.6%
  3. United States7.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Orestrate?

Orestrate is a chemical substance with the molecular formula C27H36O3 and a molar mass of 408.58 g/mol. Its CAS registry number is 13885-31-9. The IUPAC name is [(8R,9S,13S,14S,17S)-17-(cyclohexen-1-yloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] propanoate.

What is the CAS number of Orestrate?

The CAS registry number of Orestrate is 13885-31-9.

What is the molecular formula and weight of Orestrate?

The molecular formula of Orestrate is C27H36O3 and its molar mass is 408.58 g/mol.

Is Orestrate hazardous?

No GHS hazard classification for Orestrate 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 Orestrate?

Orestrate is usually classified under HS code 291550 (Propionic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orestrate?

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What is the price of Orestrate?

Suppliers quote Orestrate 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 Orestrate

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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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