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Carboxylic acids and anhydrides

Triptohairic acid

Also known as (4aS,10aS)-6-methoxy-1,4a-dimethyl-7-(propan-2-yl)-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylic acid, (4aS,10aS)-6-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid

CAS 220209-71-2Formula C21H28O3Molar mass 328.45 g/mol
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Triptohairic acid chemical structure, C21H28O3, CAS 220209-71-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
220209-71-2
Formula
C21H28O3
Molar mass
328.45 g/mol
HS code
291899
Category
Carboxylic acids and anhydrides

What is Triptohairic acid?

Plain description, key identifiers and synonyms

Triptohairic acid is a tricyclic diterpenoid having formula C21H28O2, originally isolated from the roots of Tripterygium wilfordii. It has a role as a plant metabolite. It is an aromatic ether, an alpha,beta-unsaturated monocarboxylic acid and a tricyclic diterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4aS,10aS)-6-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
CAS number
220209-71-2
Molecular formula
C21H28O3
InChIKey
DJRFNRVSOMFEMZ-UWJYYQICSA-N
InChI
InChI=1S/C21H28O3/c1-12(2)16-10-14-6-7-17-13(3)15(20(22)23)8-9-21(17,4)18(14)11-19(16)24-5/h10-12,17H,6-9H2,1-5H3,(H,22,23)/t17-,21-/m0/s1
Canonical SMILES
COc1cc2c(cc1C(C)C)CCC1C(C)=C(C(=O)O)CCC21C
Isomeric SMILES
CC1=C(CC[C@]2([C@H]1CCC3=CC(=C(C=C32)OC)C(C)C)C)C(=O)O

Synonyms

  • (4aS,10aS)-6-methoxy-1,4a-dimethyl-7-(propan-2-yl)-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylic acid
  • (4aS,10aS)-6-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid

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
328.45 g/molcalc.
Exact mass
328.2038 Dacalc.
LogP (octanol/water)
4.83calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 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, C1=CC2CCc3ccccc3C2CC1

C1=CC2CCc3ccccc3C2CC1

3 rings, 14 atoms.

7 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.

Triptohairic acid suppliers

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Triptohairic acid price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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

Frequently asked questions

Quick answers about Triptohairic acid, based on the data on this page

What is Triptohairic acid?

Triptohairic acid is a tricyclic diterpenoid having formula C21H28O2, originally isolated from the roots of Tripterygium wilfordii. It has a role as a plant metabolite. It is an aromatic ether, an alpha,beta-unsaturated monocarboxylic acid and a tricyclic diterpenoid.

What is the CAS number of Triptohairic acid?

The CAS registry number of Triptohairic acid is 220209-71-2.

What is the molecular formula and weight of Triptohairic acid?

The molecular formula of Triptohairic acid is C21H28O3 and its molar mass is 328.45 g/mol.

What is Triptohairic acid used for?

Known uses and roles of Triptohairic acid include eukaryotic metabolite, metabolite and plant metabolite.

Is Triptohairic acid hazardous?

No GHS hazard classification for Triptohairic acid 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 Triptohairic acid?

Triptohairic acid 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 Triptohairic acid?

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

What is the price of Triptohairic acid?

Suppliers quote Triptohairic acid 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 Triptohairic acid

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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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