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Screening compounds

Schisantherin E

Also known as Schizantherin E, [(8S,9S,10S)-9,14-dihydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate, Schizantherin-E

CAS 64917-83-5Formula C30H34O9Molar mass 538.59 g/mol
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Schisantherin E chemical structure, C30H34O9, CAS 64917-83-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
64917-83-5
Formula
C30H34O9
Molar mass
538.59 g/mol
HS code
291631
Category
Screening compounds

What is Schisantherin E?

Plain description, key identifiers and synonyms

Schisantherin E has been reported in Schisandra sphenanthera and Schisandra rubriflora.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(8S,9S,10S)-9,14-dihydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate
CAS number
64917-83-5
Molecular formula
C30H34O9
InChIKey
ZNXDFTKQSCEJGE-DSASHONVSA-N
InChI
InChI=1S/C30H34O9/c1-16-13-18-14-20(31)24(35-4)26(37-6)22(18)23-19(15-21(34-3)25(36-5)27(23)38-7)28(30(16,2)33)39-29(32)17-11-9-8-10-12-17/h8-12,14-16,28,31,33H,13H2,1-7H3/t16-,28-,30-/m0/s1
Canonical SMILES
COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)CC(C)C(C)(O)C2OC(=O)c1ccccc1
Isomeric SMILES
C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3[C@@H]([C@@]1(C)O)OC(=O)C4=CC=CC=C4)OC)OC)OC)OC)OC)O

Synonyms

  • Schizantherin E
  • [(8S,9S,10S)-9,14-dihydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate
  • Schizantherin-E
  • (5S)-6|A,7|A-Dimethyl-1,2,3,11,12-pentamethoxy(5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene)-5|A,6|A,10-triol 5-benzoate

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
538.59 g/molcalc.
Exact mass
538.2203 Dacalc.
LogP (octanol/water)
4.94calc.
Topological polar surface area
112.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
7calc.
Heavy atoms
39calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.37calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (1 violation)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(OC1CCCc2ccccc2-c2ccccc21)c1ccccc1

O=C(OC1CCCc2ccccc2-c2ccccc21)c1ccccc1

4 rings, 25 atoms.

8 other chemicals 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.

Schisantherin E suppliers

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Schisantherin 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

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 Schisantherin E is traded under.

HS 2916.31Indicative HS code

Benzoic acid, its salts and esters

World exports in 2024
$668M
+12.0% vs 2023, imports $664M
2019 to 2024
Top exporters
  1. China30.7%
  2. Netherlands29.8%
  3. Estonia9.9%
Top importers
  1. United States14.7%
  2. Germany8.8%
  3. Brazil5.1%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Schisantherin E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Schisantherin E?

Schisantherin E has been reported in Schisandra sphenanthera and Schisandra rubriflora.

What is the CAS number of Schisantherin E?

The CAS registry number of Schisantherin E is 64917-83-5.

What is the molecular formula and weight of Schisantherin E?

The molecular formula of Schisantherin E is C30H34O9 and its molar mass is 538.59 g/mol.

What is Schisantherin E used for?

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

Is Schisantherin E hazardous?

No GHS hazard classification for Schisantherin 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 Schisantherin E?

Schisantherin E is usually classified under HS code 291631 (Benzoic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Schisantherin E?

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

What is the price of Schisantherin E?

Suppliers quote Schisantherin 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 Schisantherin 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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