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Carboxylic acids and anhydrides

Demethylzeylasteral

Also known as (2R,4aS,6aR,6aS,14aS,14bR)-9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid, Demethylzeylasteral (T-96), Demethylzeylasteral (Standard)

CAS 107316-88-1Formula C29H36O6Molar mass 480.60 g/mol
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Demethylzeylasteral chemical structure, C29H36O6, CAS 107316-88-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
107316-88-1
Formula
C29H36O6
Molar mass
480.60 g/mol
HS code
291899
Category
Carboxylic acids and anhydrides

What is Demethylzeylasteral?

Plain description, key identifiers and synonyms

Demethylzeylasteral is a carbopolycyclic compound with formula C29H36O6, originally isolated from Tripterygium wilfordii. It has a role as an EC 2.4.1.17 (glucuronosyltransferase) inhibitor, an immunosuppressive agent, an anti-inflammatory agent, a nephroprotective agent and a plant metabolite. It is a member of benzenediols, an arenecarbaldehyde, a carbopolycyclic compound, an oxo monocarboxylic acid, a cyclic ketone and an enone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,4aS,6aR,6aS,14aS,14bR)-9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
CAS number
107316-88-1
Molecular formula
C29H36O6
MDL number
MFCD16660658
InChIKey
ZDZSFWLPCFRASW-CPISFEQASA-N
InChI
InChI=1S/C29H36O6/c1-25-6-7-26(2,24(34)35)14-21(25)29(5)11-9-27(3)17-12-19(32)23(33)16(15-30)22(17)18(31)13-20(27)28(29,4)10-8-25/h12-13,15,21,32-33H,6-11,14H2,1-5H3,(H,34,35)/t21-,25-,26-,27+,28-,29+/m1/s1
Canonical SMILES
CC1(C(=O)O)CCC2(C)CCC3(C)C4=CC(=O)c5c(cc(O)c(O)c5C=O)C4(C)CCC3(C)C2C1
Isomeric SMILES
C[C@]12CC[C@@](C[C@H]1[C@@]3(CC[C@]4(C5=CC(=C(C(=C5C(=O)C=C4[C@]3(CC2)C)C=O)O)O)C)C)(C)C(=O)O

Synonyms

  • (2R,4aS,6aR,6aS,14aS,14bR)-9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
  • Demethylzeylasteral (T-96)
  • Demethylzeylasteral (Standard)
  • (9beta,13alpha,14beta,20alpha)-2,3-Dihydroxy-9,13-dimethyl-6,23-dioxo-24,25,26-trinoroleana-1,3,5(10),7-tetraen-29-oic acid
  • (2R,4aS,6aS,12bR,14aS,14bR)-9-formyl-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-t

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
480.60 g/molcalc.
Exact mass
480.2512 Dacalc.
LogP (octanol/water)
5.79calc.
Topological polar surface area
111.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
35calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.62calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1C=C2C(CCC3C2CCC2CCCCC23)c2ccccc21

O=C1C=C2C(CCC3C2CCC2CCCCC23)c2ccccc21

5 rings, 23 atoms.

14 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.

Demethylzeylasteral suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 1 country

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Demethylzeylasteral 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

Roles

  • anti-inflammatory agent
  • enzyme inhibitor
  • eukaryotic metabolite
  • immunomodulator
  • immunosuppressive agent
  • metabolite
  • nephroprotective agent
  • pharmaceutical
  • plant metabolite
  • protective agent

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 Demethylzeylasteral is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Demethylzeylasteral?

Demethylzeylasteral is a carbopolycyclic compound with formula C29H36O6, originally isolated from Tripterygium wilfordii. It has a role as an EC 2.4.1.17 (glucuronosyltransferase) inhibitor, an immunosuppressive agent, an anti-inflammatory agent, a nephroprotective agent and a plant metabolite.

What is the CAS number of Demethylzeylasteral?

The CAS registry number of Demethylzeylasteral is 107316-88-1.

What is the molecular formula and weight of Demethylzeylasteral?

The molecular formula of Demethylzeylasteral is C29H36O6 and its molar mass is 480.60 g/mol.

What is Demethylzeylasteral used for?

Known uses and roles of Demethylzeylasteral include anti-inflammatory agent, enzyme inhibitor, eukaryotic metabolite, immunomodulator, immunosuppressive agent and 5 more.

Is Demethylzeylasteral hazardous?

No GHS hazard classification for Demethylzeylasteral 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 Demethylzeylasteral?

Demethylzeylasteral is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Demethylzeylasteral?

CompoundList lists 3 suppliers of Demethylzeylasteral in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Demethylzeylasteral?

Suppliers quote Demethylzeylasteral 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 Demethylzeylasteral

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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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