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Screening compounds

Stephavanine

Also known as (15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl) 4-hydroxy-3-methoxybenzoate, [hydroxy(methoxy)[?]yl] 4-hydroxy-3-methoxy-benzoate, (15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.1^{11,14.0^{1,13.0^{2,10.0^{4,8]henicosa-2,4(8),9-trien-16-yl) 4-hydroxy-3-methoxybenzoate

CAS 33116-33-5Formula C26H27NO9Molar mass 497.50 g/mol
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Stephavanine chemical structure, C26H27NO9, CAS 33116-33-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
33116-33-5
Formula
C26H27NO9
Molar mass
497.50 g/mol
HS code
293499
Category
Screening compounds

What is Stephavanine?

Plain description, key identifiers and synonyms

Stephavanine is a chemical substance with the molecular formula C26H27NO9 and a molar mass of 497.50 g/mol. Its CAS registry number is 33116-33-5. The IUPAC name is (15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl) 4-hydroxy-3-methoxybenzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl) 4-hydroxy-3-methoxybenzoate
CAS number
33116-33-5 CAS number cross-checked
Molecular formula
C26H27NO9
InChIKey
BTDVYOKUHWMJJD-UHFFFAOYSA-N
InChI
InChI=1S/C26H27NO9/c1-31-17-7-13(3-4-16(17)28)23(30)35-21-10-24-5-6-27-25(24)11-20(36-26(25,32-2)22(21)29)14-8-18-19(9-15(14)24)34-12-33-18/h3-4,7-9,20-22,27-29H,5-6,10-12H2,1-2H3
SMILES (canonical and isomeric)
COC1=C(C=CC(=C1)C(=O)OC2CC34CCNC35CC(C6=CC7=C(C=C46)OCO7)OC5(C2O)OC)O

Synonyms

  • (15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl) 4-hydroxy-3-methoxybenzoate
  • [hydroxy(methoxy)[?]yl] 4-hydroxy-3-methoxy-benzoate
  • (15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.1^{11,14.0^{1,13.0^{2,10.0^{4,8]henicosa-2,4(8),9-trien-16-yl) 4-hydroxy-3-methoxybenzoate
  • 3-Hydroxy-4-methoxy-1,2,3,4,5,6-hexahydro-4a,11b-(epiminoethano)-4,6-epoxyphenanthro[2,3-d][1,3]dioxol-2-yl 4-hydroxy-3-methoxybenzoate
  • 3-Hydroxy-4-methoxy-1,2,3,4,5,6-hexahydro-9H-4a,11b-(epiminoethano)-4,6-epoxyphenanthro[2,3-d][1,3]dioxol-2-yl 4-hydroxy-3-methoxybenzoate

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
497.50 g/molcalc.
Exact mass
497.1686 Dacalc.
LogP (octanol/water)
1.91calc.
Topological polar surface area
124.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
4calc.
Heavy atoms
36calc.
Rings
7calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
6calc.
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, O=C(OC1CC2OC3CC24NCCC4(C1)c1cc2c(cc13)OCO2)c1ccccc1

O=C(OC1CC2OC3CC24NCCC4(C1)c1cc2c(cc13)OCO2)c1ccccc1

7 rings, 30 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.

Stephavanine suppliers

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Stephavanine 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 Stephavanine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Stephavanine?

Stephavanine is a chemical substance with the molecular formula C26H27NO9 and a molar mass of 497.50 g/mol. Its CAS registry number is 33116-33-5. The IUPAC name is (15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl) 4-hydroxy-3-methoxybenzoate.

What is the CAS number of Stephavanine?

The CAS registry number of Stephavanine is 33116-33-5.

What is the molecular formula and weight of Stephavanine?

The molecular formula of Stephavanine is C26H27NO9 and its molar mass is 497.50 g/mol.

What is Stephavanine used for?

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

Is Stephavanine hazardous?

No GHS hazard classification for Stephavanine 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 Stephavanine?

Stephavanine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Stephavanine?

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

What is the price of Stephavanine?

Suppliers quote Stephavanine 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

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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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