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Screening compounds

Interiotherin A

Also known as [(11R,12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] benzoate, ((11R,12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo(13.7.0.02,10.04,8.017,21)docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl) benzoate, Interiotherins A

CAS 181701-06-4Formula C29H28O8Molar mass 504.54 g/mol
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Interiotherin A chemical structure, C29H28O8, CAS 181701-06-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
181701-06-4
Formula
C29H28O8
Molar mass
504.54 g/mol
HS code
293299
Category
Screening compounds

What is Interiotherin A?

Plain description, key identifiers and synonyms

Interiotherin A is a lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura interior and has been shown to exhibit anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is a lignan, an aromatic ether, a benzoate ester, an oxacycle and an organic heteropentacyclic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(11R,12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] benzoate
CAS number
181701-06-4
Molecular formula
C29H28O8
InChIKey
MBGKPRSARHEFAG-CCHLGUQTSA-N
InChI
InChI=1S/C29H28O8/c1-15-10-18-11-20-25(35-13-33-20)27(31-3)22(18)23-19(12-21-26(28(23)32-4)36-14-34-21)24(16(15)2)37-29(30)17-8-6-5-7-9-17/h5-9,11-12,15-16,24H,10,13-14H2,1-4H3/t15-,16-,24+/m0/s1
Canonical SMILES
COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)C(OC(=O)c1ccccc1)C(C)C(C)C3)OCO2
Isomeric SMILES
C[C@H]1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4[C@@H]([C@H]1C)OC(=O)C6=CC=CC=C6)OCO5)OC)OC)OCO3

Synonyms

  • [(11R,12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] benzoate
  • ((11R,12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo(13.7.0.02,10.04,8.017,21)docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl) benzoate
  • Interiotherins A
  • (-)-Interiotherin A
  • Cycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-ol, 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, benzoate(5R,6S,7S,13aS)

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
504.54 g/molcalc.
Exact mass
504.1784 Dacalc.
LogP (octanol/water)
5.55calc.
Topological polar surface area
81.68 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
37calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Fails (2 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=C(OC1CCCc2cc3c(cc2-c2cc4c(cc21)OCO4)OCO3)c1ccccc1

O=C(OC1CCCc2cc3c(cc2-c2cc4c(cc21)OCO4)OCO3)c1ccccc1

6 rings, 31 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.

Interiotherin A suppliers

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Where suppliers are based

1 supplier in 1 country

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Interiotherin A 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-HIV agent
  • antimicrobial agent
  • antiviral agent
  • 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 Interiotherin A is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Interiotherin A, based on the data on this page

What is Interiotherin A?

Interiotherin A is a lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura interior and has been shown to exhibit anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is a lignan, an aromatic ether, a benzoate ester, an oxacycle and an organic heteropentacyclic compound.

What is the CAS number of Interiotherin A?

The CAS registry number of Interiotherin A is 181701-06-4.

What is the molecular formula and weight of Interiotherin A?

The molecular formula of Interiotherin A is C29H28O8 and its molar mass is 504.54 g/mol.

What is Interiotherin A used for?

Known uses and roles of Interiotherin A include building blocks in research and laboratory, screening compounds in research and laboratory, anti-hiv agent, antimicrobial agent, antiviral agent and 1 more.

Is Interiotherin A hazardous?

No GHS hazard classification for Interiotherin A 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 Interiotherin A?

Interiotherin A is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Interiotherin A?

CompoundList lists 1 supplier of Interiotherin A 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 Interiotherin A?

Suppliers quote Interiotherin A 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

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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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