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Heterocyclic compounds

Phaseollinisoflavan

Also known as Phaseolinisoflavan, Phaseollin (isoflavan), (3,6'-Bi-2H-1-benzopyran)-5',7-diol, 3,4-dihydro-2',2'-dimethyl-, (R)-

CAS 40323-57-7Formula C20H20O4Molar mass 324.38 g/mol
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Phaseollinisoflavan chemical structure, C20H20O4, CAS 40323-57-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
40323-57-7
Formula
C20H20O4
Molar mass
324.38 g/mol
HS code
293299
Category
Heterocyclic compounds

What is Phaseollinisoflavan?

Plain description, key identifiers and synonyms

(-)-phaseollinisoflavan is a member of the class of hydroxyisoflavans that is (3R)-3,4-dihydro-2H,2'H-3,6'-bichromene substituted by two methyl groups at positions 2' and 2' and hydroxy groups at positions 5' and 7 respectively. It has a role as a plant metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
CAS number
40323-57-7 CAS number cross-checked
Molecular formula
C20H20O4
UNII
3A9F71823M
InChIKey
UUJBHSNXZMGYBT-ZDUSSCGKSA-N
InChI
InChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
Canonical SMILES
CC1(C)C=Cc2c(ccc(C3COc4cc(O)ccc4C3)c2O)O1
Isomeric SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)[C@H]3CC4=C(C=C(C=C4)O)OC3)C

Synonyms

  • Phaseolinisoflavan
  • Phaseollin (isoflavan)
  • (3,6'-Bi-2H-1-benzopyran)-5',7-diol, 3,4-dihydro-2',2'-dimethyl-, (R)-
  • (3,6'-bi-2H-1-Benzopyran)-5',7-diol, 3,4-dihydro-2',2'-dimethyl-, (3R)-
  • (-)-Phaseollinisoflavan
  • 6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
  • 3,4-Dihydro-2',2'-dimethyl-3,6'-bi[2H-1-benzopyran]-5',7-diol
  • (3R)-2',2'-dimethyl-3,4-dihydro-2H,2'H-3,6'-bichromene-5',7-diol
  • (3R)-3,4-Dihydro-2',2'-dimethyl[3,6'-bi-2H-1-benzopyran]-5',7-diol
  • (3R)-2',2'-Dimethyl-3,4-dihydro-2H,2'H-[3,6'-bi-1-benzopyran]-5',7-diol

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
324.38 g/molcalc.
Exact mass
324.1362 Dacalc.
LogP (octanol/water)
4calc.
Topological polar surface area
58.92 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
24calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
1calc.
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, C1=Cc2cc(C3COc4ccccc4C3)ccc2OC1

C1=Cc2cc(C3COc4ccccc4C3)ccc2OC1

4 rings, 20 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.

Phaseollinisoflavan suppliers

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

Frequently asked questions

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

What is Phaseollinisoflavan?

(-)-phaseollinisoflavan is a member of the class of hydroxyisoflavans that is (3R)-3,4-dihydro-2H,2'H-3,6'-bichromene substituted by two methyl groups at positions 2' and 2' and hydroxy groups at positions 5' and 7 respectively. It has a role as a plant metabolite.

What is the CAS number of Phaseollinisoflavan?

The CAS registry number of Phaseollinisoflavan is 40323-57-7.

What is the molecular formula and weight of Phaseollinisoflavan?

The molecular formula of Phaseollinisoflavan is C20H20O4 and its molar mass is 324.38 g/mol.

What is Phaseollinisoflavan used for?

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

Is Phaseollinisoflavan hazardous?

No GHS hazard classification for Phaseollinisoflavan 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 Phaseollinisoflavan?

Phaseollinisoflavan 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 Phaseollinisoflavan?

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

What is the price of Phaseollinisoflavan?

Suppliers quote Phaseollinisoflavan 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 Phaseollinisoflavan

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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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