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Heterocyclic compounds

Triptonolide

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

CAS 79548-61-1Formula C20H22O4Molar mass 326.39 g/mol
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Triptonolide chemical structure, C20H22O4, CAS 79548-61-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79548-61-1
Formula
C20H22O4
Molar mass
326.39 g/mol
HS code
293220
Category
Heterocyclic compounds

What is Triptonolide?

Plain description, key identifiers and synonyms

Triptonolide is a tetracyclic diterpenoid with formula C20H22O4, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite. It is a tetracyclic triterpenoid, a member of phenols, a cyclic terpene ketone, a gamma-lactone, an organic heterotetracyclic compound and an aromatic ketone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3bS,9bR)-6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione
CAS number
79548-61-1 CAS number cross-checked
Molecular formula
C20H22O4
InChIKey
MHZZHUMKOAYLPH-QRWLVFNGSA-N
InChI
InChI=1S/C20H22O4/c1-10(2)11-4-5-14-17(18(11)22)16(21)8-15-13-9-24-19(23)12(13)6-7-20(14,15)3/h4-5,10,15,22H,6-9H2,1-3H3/t15-,20+/m1/s1
Canonical SMILES
CC(C)c1ccc2c(c1O)C(=O)CC1C3=C(CCC21C)C(=O)OC3
Isomeric SMILES
CC(C)C1=C(C2=C(C=C1)[C@@]3(CCC4=C([C@H]3CC2=O)COC4=O)C)O

Synonyms

  • Phenanthro(1,2-c)furan-1,5-dione, 3,3b,4,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, trans-
  • (3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho(2,1-e)(2)benzofuran-1,5-dione
  • (3bS,9bR)-6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione
  • (3bR,9bS)-6-hydroxy-9b-methyl-7-(propan-2-yl)-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione
  • (3bS,9bR)-6-Hydroxy-9b-methyl-7-(propan-2-yl)-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione
  • 6-Hydroxy-9b-methyl-7-(propan-2-yl)-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione

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
326.39 g/molcalc.
Exact mass
326.1518 Dacalc.
LogP (octanol/water)
3.62calc.
Topological polar surface area
63.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
24calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
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=C1CCC1c3ccccc3C(=O)CC21

O=C1OCC2=C1CCC1c3ccccc3C(=O)CC21

4 rings, 19 atoms.

1 other chemical 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.

Triptonolide suppliers

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

Frequently asked questions

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

What is Triptonolide?

Triptonolide is a tetracyclic diterpenoid with formula C20H22O4, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite. It is a tetracyclic triterpenoid, a member of phenols, a cyclic terpene ketone, a gamma-lactone, an organic heterotetracyclic compound and an aromatic ketone.

What is the CAS number of Triptonolide?

The CAS registry number of Triptonolide is 79548-61-1.

What is the molecular formula and weight of Triptonolide?

The molecular formula of Triptonolide is C20H22O4 and its molar mass is 326.39 g/mol.

What is Triptonolide used for?

Known uses and roles of Triptonolide include eukaryotic metabolite, metabolite and plant metabolite.

Is Triptonolide hazardous?

No GHS hazard classification for Triptonolide 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 Triptonolide?

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

Where can I buy Triptonolide?

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

What is the price of Triptonolide?

Suppliers quote Triptonolide 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 Triptonolide

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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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