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Heterocyclic compounds

Sesamin

Also known as Fagarol, Sezamin, (+)-Sesamin

CAS 607-80-7Formula C20H18O6Molar mass 354.36 g/molEC 612-029-1
GHS signal word: Warning. Pictograms: Harmful or irritant 27 suppliers listed
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Sesamin chemical structure, C20H18O6, CAS 607-80-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
607-80-7
Formula
C20H18O6
Molar mass
354.36 g/mol
EC number
612-029-1
HS code
293299
Category
Heterocyclic compounds

What is Sesamin?

Plain description, key identifiers and synonyms

(+)-sesamin is a lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity. It has a role as an antineoplastic agent, a neuroprotective agent and a plant metabolite. It is a lignan, a member of benzodioxoles and a furofuran.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
CAS number
607-80-7 CAS number cross-checkedOther or deprecated CAS: 81602-22-4
EC number
612-029-1
Molecular formula
C20H18O6
UNII
FY3S29JVC9, S7946O4P76
MDL number
MFCD00216134
InChIKey
PEYUIKBAABKQKQ-AFHBHXEDSA-N
InChI
InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
Canonical SMILES
c1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2
Isomeric SMILES
C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6

Synonyms

  • Fagarol
  • Sezamin
  • (+)-Sesamin
  • d-Sesamin
  • D-(+)-Sesamin
  • 5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
  • 1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4-(methylenedioxy)phenyl)-, (1S,3aR,4S,6aR)-
  • 1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis-, (1S-(1alpha,3a alpha,4alpha,6a alpha))-
  • epi-sesamin
  • 5-((3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-6-yl)-1,3-benzodioxole
  • pseudocubebin
  • Episesamin
  • (+/-)-Sesamin
  • Sesamin dl-form
  • Sesamin, (+/-)-
  • (+)-Segamin
  • (1S,3aR,4S,6aR)-1,4-bis(benzo[d][1,3]dioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan
  • Pseudo cubebin
  • (1S,3aR,4S,6aR)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan
  • 1,3-Benzodioxole, 5,5'-((1R,3as,4R,6as)-tetrahydro-1H,3h-furo(3,4-c)furan-1,4-diyl)bis-, rel-
  • Tetrahydro-1,4-bis[3,4-(methylenedioxy)phenyl]-1H,3H-furo[3,4-c]furan
  • Tetrahydro-1,4-bis(3,4-(methylenedioxy)phenyl)-1H,3H-furo(3,4-c)furan
  • 5-[(3S,3aR,6S,6aR)-6-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
  • Rel-(7S,7'S8R,8'R)-Sesamin
  • Sesamin (Standard)
Show all 33 synonyms
  • 1H,3H-Fur
  • Sesamin, analytical standard
  • Sesamin D-form
  • 2,6-Bis(3,4-methylenedioxyphenyl)-3,7-dioxabicyclo(3.3.0)octane
  • Sesamin, >=95%, crystalline
  • Sesamin, >=98% (HPLC)
  • ACon0_000323
  • ACon1_002421

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
354.36 g/molcalc.
Exact mass
354.1103 Dacalc.
LogP (octanol/water)
3.22calc.
Topological polar surface area
55.38 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
26calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
4calc.
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, c1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2

c1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2

6 rings, 26 atoms, the 1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis-, (1S-(1alpha,3aalpha,4alpha,6aalpha))- ring system.

20 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H317May cause an allergic skin reaction.
Precautionary statements (8)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Sesamin suppliers

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27 suppliers in 8 countries

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Sesamin 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

Pharmacological actions

  • Anticholesteremic Agents
  • Antihypertensive Agents
  • Antioxidants

Roles

  • antineoplastic agent
  • eukaryotic metabolite
  • metabolite
  • neuroprotective 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 Sesamin 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 Sesamin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Sesamin?

(+)-sesamin is a lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity.

Is Sesamin hazardous?

Sesamin carries the GHS signal word "Warning". Main hazards: may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

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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