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Heterocyclic compounds

Kobophenol B

CAS 133383-20-7Formula C56H40O12Molar mass 904.92 g/mol
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Kobophenol B chemical structure, C56H40O12, CAS 133383-20-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
133383-20-7
Formula
C56H40O12
Molar mass
904.92 g/mol
HS code
293299
Category
Heterocyclic compounds

What is Kobophenol B?

Plain description, key identifiers and synonyms

Kobophenol B has been reported in Carex pumila and Carex pendula.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,3S,7R,8R,15S,21R,22R,25S,26R,27R)-22-(3,5-dihydroxyphenyl)-12,17-dihydroxy-8,21,26,27-tetrakis(4-hydroxyphenyl)-9,20-dioxaoctacyclo[13.10.1.13,25.17,10.01,6.016,24.019,23.014,28]octacosa-5,10,12,14(28),16(24),17,19(23)-heptaene-2,4-dione
CAS number
133383-20-7 CAS number cross-checked
Molecular formula
C56H40O12
InChIKey
QENCSSQOFHZZCZ-PSGPQVICSA-N
InChI
InChI=1S/C56H40O12/c57-29-9-1-24(2-10-29)42-48-38(64)22-37-46-44-36(20-35(63)21-40(44)67-54(46)27-7-15-32(60)16-8-27)45-47-39(65)23-41-49(50(47)52(42)56(37,55(48)66)51(45)25-3-11-30(58)12-4-25)43(28-17-33(61)19-34(62)18-28)53(68-41)26-5-13-31(59)14-6-26/h1-23,42-43,45-46,48,51-54,57-63,65H/t42-,43+,45-,46+,48+,51-,52-,53-,54-,56+/m0/s1
SMILES
C1=CC(=CC=C1[C@H]2[C@H]3C(=O)C=C4[C@H]5[C@@H](OC6=CC(=CC(=C56)[C@@H]7[C@@H]([C@]4([C@@H]2C8=C7C(=CC9=C8[C@H]([C@@H](O9)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)C3=O)C1=CC=C(C=C1)O)O)C1=CC=C(C=C1)O)O

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
904.92 g/molcalc.
Exact mass
904.252 Dacalc.
LogP (octanol/water)
9.32calc.
Topological polar surface area
214.4 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
5calc.
Heavy atoms
68calc.
Rings
13calc.
Aromatic rings
7calc.
Fraction sp3 carbons
0.18calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (4 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=C1C=C2C3c4c(cccc4C4c5ccc6c(c5C5C(c7ccccc7)C1C(=O)C25C4c1ccccc1)C(c1ccccc1)C(c1ccccc1)O6)OC3c1ccccc1

O=C1C=C2C3c4c(cccc4C4c5ccc6c(c5C5C(c7ccccc7)C1C(=O)C25C4c1ccccc1)C(c1ccccc1)C(c1ccccc1)O6)OC3c1ccccc1

13 rings, 60 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.

Kobophenol B suppliers

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Kobophenol B 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

Quick answers about Kobophenol B, based on the data on this page

What is Kobophenol B?

Kobophenol B has been reported in Carex pumila and Carex pendula.

What is the CAS number of Kobophenol B?

The CAS registry number of Kobophenol B is 133383-20-7.

What is the molecular formula and weight of Kobophenol B?

The molecular formula of Kobophenol B is C56H40O12 and its molar mass is 904.92 g/mol.

Is Kobophenol B hazardous?

No GHS hazard classification for Kobophenol B 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 Kobophenol B?

Kobophenol B 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 Kobophenol B?

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

What is the price of Kobophenol B?

Suppliers quote Kobophenol B 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 Kobophenol B

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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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