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Steroids and sterols

Phellochin

CAS 115334-04-8Formula C31H52O4Molar mass 488.75 g/mol
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Phellochin chemical structure, C31H52O4, CAS 115334-04-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
115334-04-8
Formula
C31H52O4
Molar mass
488.75 g/mol
HS code
291450
Category
Steroids and sterols

What is Phellochin?

Plain description, key identifiers and synonyms

Phellochin has been reported in Chisocheton cumingianus and Phellodendron chinense.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5R,9R,10R,13S,14S,17S)-17-[(2S,4R,5S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CAS number
115334-04-8
Molecular formula
C31H52O4
InChIKey
OCURJKDUYAFAQG-PVZPVLANSA-N
InChI
InChI=1S/C31H52O4/c1-19(18-23(32)26(34)28(4,5)35-9)20-12-16-31(8)22-10-11-24-27(2,3)25(33)14-15-29(24,6)21(22)13-17-30(20,31)7/h10,19-21,23-24,26,32,34H,11-18H2,1-9H3/t19-,20-,21-,23+,24-,26-,29+,30-,31+/m0/s1
Canonical SMILES
COC(C)(C)C(O)C(O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C
Isomeric SMILES
C[C@@H](C[C@H]([C@@H](C(C)(C)OC)O)O)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C

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
488.75 g/molcalc.
Exact mass
488.3866 Dacalc.
LogP (octanol/water)
6.33calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
35calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
9calc.
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=C1CCC2C(CC=C3C4CCCC4CCC32)C1

O=C1CCC2C(CC=C3C4CCCC4CCC32)C1

4 rings, 18 atoms.

45 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.

Phellochin suppliers

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Phellochin 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 Phellochin is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Phellochin?

Phellochin has been reported in Chisocheton cumingianus and Phellodendron chinense.

What is the CAS number of Phellochin?

The CAS registry number of Phellochin is 115334-04-8.

What is the molecular formula and weight of Phellochin?

The molecular formula of Phellochin is C31H52O4 and its molar mass is 488.75 g/mol.

Is Phellochin hazardous?

No GHS hazard classification for Phellochin 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 Phellochin?

Phellochin is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phellochin?

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

What is the price of Phellochin?

Suppliers quote Phellochin 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 Phellochin

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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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