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Steroids and sterols

Combretanone E

Also known as 7beta,24-dihydroxy-24-methyl-9beta,19-cyclolanost-25-en-3-one, 7beta,24-Dihydroxy-24-methyl-9beta-9,19-cyclolanost-25-en-3-one, 9,19-Cyclolanost-25-en-3-one, 7,24-dihydroxy-24-methyl-, (7I(2))-

CAS 1268242-86-9Formula C31H50O3Molar mass 470.74 g/mol
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Combretanone E chemical structure, C31H50O3, CAS 1268242-86-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1268242-86-9
Formula
C31H50O3
Molar mass
470.74 g/mol
HS code
291440
Category
Steroids and sterols

What is Combretanone E?

Plain description, key identifiers and synonyms

Combretanone E is a pentacyclic triterpenoid that is 9beta,19-cyclolanost-25-ene substituted by an oxo group at position 3 and hydroxy groups at positions 7 and 24. It has been isolated from the leaves of Combretum quadrangulare. It has a role as a metabolite and a plant metabolite. It is a 3-oxo-5alpha-steroid, a diol, a pentacyclic triterpenoid and a cyclic terpene ketone. It derives from a hydride of a cycloartane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3R,8R,10S,11S,12S,15R,16R)-10-hydroxy-15-[(2R)-5-hydroxy-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
CAS number
1268242-86-9
Molecular formula
C31H50O3
InChIKey
DYFQGNVJYMAFHT-XPZPHRGNSA-N
InChI
InChI=1S/C31H50O3/c1-19(2)29(8,34)13-9-20(3)21-10-12-28(7)25-22(32)17-23-26(4,5)24(33)11-14-30(23)18-31(25,30)16-15-27(21,28)6/h20-23,25,32,34H,1,9-18H2,2-8H3/t20-,21-,22+,23+,25+,27-,28+,29?,30-,31+/m1/s1
Canonical SMILES
C=C(C)C(C)(O)CCC(C)C1CCC2(C)C3C(O)CC4C(C)(C)C(=O)CCC45CC35CCC12C
Isomeric SMILES
C[C@H](CCC(C)(C(=C)C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2[C@H](C[C@@H]5[C@]3(C4)CCC(=O)C5(C)C)O)C)C

Synonyms

  • 7beta,24-dihydroxy-24-methyl-9beta,19-cyclolanost-25-en-3-one
  • 7beta,24-Dihydroxy-24-methyl-9beta-9,19-cyclolanost-25-en-3-one
  • 9,19-Cyclolanost-25-en-3-one, 7,24-dihydroxy-24-methyl-, (7I(2))-

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
470.74 g/molcalc.
Exact mass
470.376 Dacalc.
LogP (octanol/water)
6.71calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
10calc.
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, O=C1CCC23CC24CCC2CCCC2C4CCC3C1

O=C1CCC23CC24CCC2CCCC2C4CCC3C1

5 rings, 19 atoms.

44 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.

Combretanone E suppliers

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Combretanone E price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

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

Frequently asked questions

Quick answers about Combretanone E, based on the data on this page

What is Combretanone E?

Combretanone E is a pentacyclic triterpenoid that is 9beta,19-cyclolanost-25-ene substituted by an oxo group at position 3 and hydroxy groups at positions 7 and 24. It has been isolated from the leaves of Combretum quadrangulare. It has a role as a metabolite and a plant metabolite.

What is the CAS number of Combretanone E?

The CAS registry number of Combretanone E is 1268242-86-9.

What is the molecular formula and weight of Combretanone E?

The molecular formula of Combretanone E is C31H50O3 and its molar mass is 470.74 g/mol.

What is Combretanone E used for?

Known uses and roles of Combretanone E include eukaryotic metabolite, metabolite and plant metabolite.

Is Combretanone E hazardous?

No GHS hazard classification for Combretanone E 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 Combretanone E?

Combretanone E 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 Combretanone E?

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

What is the price of Combretanone E?

Suppliers quote Combretanone E 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 Combretanone E

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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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