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Heterocyclic compounds

Triptophenolide methyl ether

Also known as (3bR,9bS)-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one, Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-6-methoxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-, (3bR,9bS)-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho(2,1-e)(2)benzofuran-1-one

CAS 74311-48-1Formula C21H26O3Molar mass 326.44 g/mol
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Triptophenolide methyl ether chemical structure, C21H26O3, CAS 74311-48-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
74311-48-1
Formula
C21H26O3
Molar mass
326.44 g/mol
HS code
293220
Category
Heterocyclic compounds

What is Triptophenolide methyl ether?

Plain description, key identifiers and synonyms

Triptophenolide methyl ether is a tetracyclic diterpenoid with formula C21H26O3, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite. It is a tetracyclic triterpenoid, an aromatic ether, a gamma-lactone and an organic heterotetracyclic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3bR,9bS)-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
CAS number
74311-48-1 CAS number cross-checked
Molecular formula
C21H26O3
InChIKey
JQYCSQASGZODFD-GHTZIAJQSA-N
InChI
InChI=1S/C21H26O3/c1-12(2)13-5-7-17-15(19(13)23-4)6-8-18-16-11-24-20(22)14(16)9-10-21(17,18)3/h5,7,12,18H,6,8-11H2,1-4H3/t18-,21+/m0/s1
Canonical SMILES
COc1c(C(C)C)ccc2c1CCC1C3=C(CCC21C)C(=O)OC3
Isomeric SMILES
CC(C)C1=C(C2=C(C=C1)[C@]3(CCC4=C([C@@H]3CC2)COC4=O)C)OC

Synonyms

  • (3bR,9bS)-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
  • Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-6-methoxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-
  • (3bR,9bS)-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho(2,1-e)(2)benzofuran-1-one
  • (3bR,9bS)-7-Isopropyl-6-methoxy-9b-methyl-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one
  • (3bR,9bS)-6-methoxy-9b-methyl-7-(propan-2-yl)-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one
  • Hypolide methyl ether
  • (3bR,9bS)-7-isopropyl-6-methoxy-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one
  • Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-6-methoxy- 9b-methyl-7-(1-methylethyl)-, (3bR-trans)-

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
326.44 g/molcalc.
Exact mass
326.1882 Dacalc.
LogP (octanol/water)
4.29calc.
Topological polar surface area
35.53 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
24calc.
Rings
4calc.
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, O=C1OCC2=C1CCC1c3ccccc3CCC21

O=C1OCC2=C1CCC1c3ccccc3CCC21

4 rings, 18 atoms.

5 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.

Triptophenolide methyl ether suppliers

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Triptophenolide methyl ether 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

  • 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 Triptophenolide methyl ether is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Triptophenolide methyl ether, based on the data on this page

What is Triptophenolide methyl ether?

Triptophenolide methyl ether is a tetracyclic diterpenoid with formula C21H26O3, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite. It is a tetracyclic triterpenoid, an aromatic ether, a gamma-lactone and an organic heterotetracyclic compound.

What is the CAS number of Triptophenolide methyl ether?

The CAS registry number of Triptophenolide methyl ether is 74311-48-1.

What is the molecular formula and weight of Triptophenolide methyl ether?

The molecular formula of Triptophenolide methyl ether is C21H26O3 and its molar mass is 326.44 g/mol.

What is Triptophenolide methyl ether used for?

Known uses and roles of Triptophenolide methyl ether include eukaryotic metabolite, metabolite and plant metabolite.

Is Triptophenolide methyl ether hazardous?

No GHS hazard classification for Triptophenolide methyl ether 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 Triptophenolide methyl ether?

Triptophenolide methyl ether is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Triptophenolide methyl ether?

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

What is the price of Triptophenolide methyl ether?

Suppliers quote Triptophenolide methyl ether 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 Triptophenolide methyl ether

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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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