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Heterocyclic compounds

Cornusiin E

CAS 126594-58-9Formula C82H58O52Molar mass 1,875.31 g/mol
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Cornusiin E chemical structure, C82H58O52, CAS 126594-58-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
126594-58-9
Formula
C82H58O52
Molar mass
1,875.31 g/mol
HS code
293220
Category
Heterocyclic compounds

What is Cornusiin E?

Plain description, key identifiers and synonyms

cornusiin E has been reported in Cornus officinalis and Tellima grandiflora.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(10R,11S,12R,13S,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 3,4,5-trihydroxy-2-[[(10R,11S,12R,13S,15R)-3,4,21,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-5-yl]oxy]benzoate
CAS number
126594-58-9
Molecular formula
C82H58O52
InChIKey
DPFDPBNAIOIBJC-YLVKXZTISA-N
InChI
InChI=1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(125-81(133-74(115)21-7-34(89)52(100)35(90)8-21)69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)16-123-77(118)24-12-39(94)55(103)60(108)46(24)48-26(79(120)128-65)15-42(58(106)62(48)110)124-64-27(14-41(96)57(105)63(64)111)80(121)132-70-68(130-72(113)19-3-30(85)50(98)31(86)4-19)66-44(126-82(70)134-75(116)22-9-36(91)53(101)37(92)10-22)17-122-76(117)23-11-38(93)54(102)59(107)45(23)47-25(78(119)127-66)13-40(95)56(104)61(47)109/h1-15,43-44,65-70,81-111H,16-17H2/t43-,44-,65-,66-,67+,68+,69-,70-,81+,82+/m1/s1
Canonical SMILES
O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(Oc4c(C(=O)OC5C(OC(=O)c6cc(O)c(O)c(O)c6)OC6COC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC6C5OC(=O)c5cc(O)c(O)c(O)c5)cc(O)c(O)c4O)c(O)c3O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Isomeric SMILES
C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)OC8=C(C(=C(C=C8C(=O)O[C@@H]9[C@H]([C@H]1[C@@H](COC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O)O[C@H]9OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)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
1,875.31 g/molcalc.
Exact mass
1,874.1894 Dacalc.
LogP (octanol/water)
3.73calc.
Topological polar surface area
877.4 Ųcalc.
Hydrogen bond donors
29calc.
Hydrogen bond acceptors
52calc.
Rotatable bonds
14calc.
Heavy atoms
134calc.
Rings
14calc.
Aromatic rings
10calc.
Fraction sp3 carbons
0.15calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (3 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=C(OC1OC2COC(=O)c3ccccc3-c3ccc(Oc4ccccc4C(=O)OC4C(OC(=O)c5ccccc5)OC5COC(=O)c6ccccc6-c6ccccc6C(=O)OC5C4OC(=O)c4ccccc4)cc3C(=O)OC2C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1

O=C(OC1OC2COC(=O)c3ccccc3-c3ccc(Oc4ccccc4C(=O)OC4C(OC(=O)c5ccccc5)OC5COC(=O)c6ccccc6-c6ccccc6C(=O)OC5C4OC(=O)c4ccccc4)cc3C(=O)OC2C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1

14 rings, 105 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.

Cornusiin E suppliers

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

Frequently asked questions

Quick answers about Cornusiin E, based on the data on this page

What is Cornusiin E?

cornusiin E has been reported in Cornus officinalis and Tellima grandiflora.

What is the CAS number of Cornusiin E?

The CAS registry number of Cornusiin E is 126594-58-9.

What is the molecular formula and weight of Cornusiin E?

The molecular formula of Cornusiin E is C82H58O52 and its molar mass is 1,875.31 g/mol.

Is Cornusiin E hazardous?

No GHS hazard classification for Cornusiin E 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 Cornusiin E?

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

Where can I buy Cornusiin E?

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

What is the price of Cornusiin E?

Suppliers quote Cornusiin E 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 Cornusiin E

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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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