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Screening compounds

Hernandifoline

Formula C29H33NO9Molar mass 539.58 g/mol
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Hernandifoline chemical structure, C29H33NO9
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C29H33NO9
Molar mass
539.58 g/mol
HS code
293499
Category
Screening compounds

What is Hernandifoline?

Plain description, key identifiers and synonyms

Hernandifoline is a chemical substance with the molecular formula C29H33NO9 and a molar mass of 539.58 g/mol. The IUPAC name is [(1S,8S,10S,11R,12S,13S)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl] (Z)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,8S,10S,11R,12S,13S)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl] (Z)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Molecular formula
C29H33NO9
InChIKey
YYOXLLHHBARIFS-ZLGPTQNVSA-N
InChI
InChI=1S/C29H33NO9/c1-34-19-8-5-16(13-18(19)31)6-10-23(32)38-22-14-27-11-12-30-28(27)15-21(39-29(28,37-4)26(22)36-3)17-7-9-20(35-2)25(33)24(17)27/h5-10,13,21-22,26,30-31,33H,11-12,14-15H2,1-4H3/b10-6-/t21-,22-,26-,27-,28-,29-/m0/s1
Canonical SMILES
COc1ccc(C=CC(=O)OC2CC34CCNC35CC(OC5(OC)C2OC)c2ccc(OC)c(O)c24)cc1O
Isomeric SMILES
CO[C@H]1[C@H](C[C@]23CCN[C@]24[C@]1(O[C@@H](C4)C5=C3C(=C(C=C5)OC)O)OC)OC(=O)/C=C\C6=CC(=C(C=C6)OC)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
539.58 g/molcalc.
Exact mass
539.2155 Dacalc.
LogP (octanol/water)
2.95calc.
Topological polar surface area
124.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
7calc.
Heavy atoms
39calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
6calc.
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(C=Cc1ccccc1)OC1CC2OC3CC24NCCC4(C1)c1ccccc13

O=C(C=Cc1ccccc1)OC1CC2OC3CC24NCCC4(C1)c1ccccc13

6 rings, 29 atoms.

3 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.

Hernandifoline suppliers

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

Frequently asked questions

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

What is Hernandifoline?

Hernandifoline is a chemical substance with the molecular formula C29H33NO9 and a molar mass of 539.58 g/mol. The IUPAC name is [(1S,8S,10S,11R,12S,13S)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl] (Z)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate.

What is the molecular formula and weight of Hernandifoline?

The molecular formula of Hernandifoline is C29H33NO9 and its molar mass is 539.58 g/mol.

What is Hernandifoline used for?

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

Is Hernandifoline hazardous?

No GHS hazard classification for Hernandifoline 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 Hernandifoline?

Hernandifoline 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 Hernandifoline?

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

What is the price of Hernandifoline?

Suppliers quote Hernandifoline 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 Hernandifoline

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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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