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Screening compounds

Andirobin

Also known as Andirolin

CAS 6488-63-7Formula C27H32O7Molar mass 468.55 g/mol
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Andirobin chemical structure, C27H32O7, CAS 6488-63-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6488-63-7
Formula
C27H32O7
Molar mass
468.55 g/mol
HS code
293220
Category
Screening compounds

What is Andirobin?

Plain description, key identifiers and synonyms

Andirobin has been reported in Soymida febrifuga and Carapa procera.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 2-[(1R,2R)-2-[(1aS,4S,4aS,7R,8aS)-4-(furan-3-yl)-4a-methyl-8-methylidene-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
CAS number
6488-63-7
Molecular formula
C27H32O7
InChIKey
BFUCTROUWLSVBH-AZEZYXMUSA-N
InChI
InChI=1S/C27H32O7/c1-15-17(25(4)10-8-19(28)24(2,3)18(25)13-20(29)31-6)7-11-26(5)21(16-9-12-32-14-16)33-23(30)22-27(15,26)34-22/h8-10,12,14,17-18,21-22H,1,7,11,13H2,2-6H3/t17-,18-,21-,22+,25+,26-,27+/m0/s1
Canonical SMILES
C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)CCC2(C)C(c3ccoc3)OC(=O)C3OC132
Isomeric SMILES
C[C@@]12CC[C@@H](C(=C)[C@@]13[C@H](O3)C(=O)O[C@H]2C4=COC=C4)[C@]5(C=CC(=O)C([C@@H]5CC(=O)OC)(C)C)C

Synonyms

  • Andirolin

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
468.55 g/molcalc.
Exact mass
468.2148 Dacalc.
LogP (octanol/water)
4.34calc.
Topological polar surface area
95.34 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
4calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
7calc.
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, C=C1C(C2C=CC(=O)CC2)CCC2C(c3ccoc3)OC(=O)C3OC132

C=C1C(C2C=CC(=O)CC2)CCC2C(c3ccoc3)OC(=O)C3OC132

5 rings, 25 atoms.

No other chemical in our database has 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.

Andirobin suppliers

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

Frequently asked questions

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

What is Andirobin?

Andirobin has been reported in Soymida febrifuga and Carapa procera.

What is the CAS number of Andirobin?

The CAS registry number of Andirobin is 6488-63-7.

What is the molecular formula and weight of Andirobin?

The molecular formula of Andirobin is C27H32O7 and its molar mass is 468.55 g/mol.

What is Andirobin used for?

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

Is Andirobin hazardous?

No GHS hazard classification for Andirobin 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 Andirobin?

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

Where can I buy Andirobin?

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

What is the price of Andirobin?

Suppliers quote Andirobin 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 Andirobin

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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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