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Screening compounds

Samidin

Also known as (+)-Samidin, [(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate, [(9R,10R)-10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate

CAS 477-33-8Formula C21H22O7Molar mass 386.40 g/molEC 803-856-0
GHS signal word: Warning. Pictograms: Harmful or irritant, Hazardous to the environment
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Samidin chemical structure, C21H22O7, CAS 477-33-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
477-33-8
Formula
C21H22O7
Molar mass
386.40 g/mol
EC number
803-856-0
HS code
293220
Category
Screening compounds

What is Samidin?

Plain description, key identifiers and synonyms

Samidin is a member of coumarins.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate
CAS number
477-33-8 CAS number cross-checked
EC number
803-856-0
Molecular formula
C21H22O7
UNII
H96WTV8SM2
MDL number
MFCD01734126
InChIKey
FNVCLGWRMXTDSM-WOJBJXKFSA-N
InChI
InChI=1S/C21H22O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1
Canonical SMILES
CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)C=C(C)C
Isomeric SMILES
CC(=CC(=O)O[C@@H]1[C@@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C)C

Synonyms

  • (+)-Samidin
  • [(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate
  • [(9R,10R)-10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate
  • ((9R,10R)-10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano(2,3-f)chromen-9-yl) 3-methylbut-2-enoate
  • ((9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano(2,3-f)chromen-9-yl) 3-methylbut-2-enoate
  • ACon1_000430
  • 3-Methyl-2-butenoic acid (9R,10R)-10-acetoxy-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b
  • rac Samidin
  • 3-Methyl-2-butenoic acid (9R,10R)-10-acetoxy-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester
  • Samidin, >=95% (LC/MS-ELSD)
  • (9R,10R)-10-(Acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl 3-methylbut-2-enoate
  • 10-(Acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl 3-methylbut-2-enoate
  • 2-Butenoic acid, 3-methyl-, (9R,10R)-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-9-yl ester
  • 2-Butenoic acid, 3-methyl-, 10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-9-yl ester, (9r-cis)-
  • Crotonic acid, 3-methyl-, 9-ester with 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-2-one acetate

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
386.40 g/molcalc.
Exact mass
386.1366 Dacalc.
LogP (octanol/water)
3.45calc.
Topological polar surface area
92.04 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
3calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
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=c1ccc2ccc3c(c2o1)CCCO3

O=c1ccc2ccc3c(c2o1)CCCO3

3 rings, 15 atoms.

98 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
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H302Harmful if swallowed.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P391Collect spillage.
  • 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

Samidin suppliers

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Samidin 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

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

Frequently asked questions

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

What is Samidin?

Samidin is a member of coumarins.

What is the CAS number of Samidin?

The CAS registry number of Samidin is 477-33-8.

What is the molecular formula and weight of Samidin?

The molecular formula of Samidin is C21H22O7 and its molar mass is 386.40 g/mol.

What is Samidin used for?

Known uses and roles of Samidin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Samidin hazardous?

Samidin carries the GHS signal word "Warning". Main hazards: harmful if swallowed, very toxic to aquatic life, very toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Samidin?

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

Where can I buy Samidin?

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What is the price of Samidin?

Suppliers quote Samidin 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 Samidin

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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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