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Screening compounds

6beta-hydroxystemofoline

Also known as 2-((1S,4S,5R,6S,8R,9R,12S,13S)-9-butyl-12-hydroxy-4-methyl-2,14-dioxa-10-azapentacyclo(6.5.1.01,5.06,10.09,13)tetradecan-3-yl)-3-methoxy-4-methyl-2H-furan-5-one, 2-[(1S,4S,5R,6S,8R,9R,12S,13S)-9-butyl-12-hydroxy-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-yl]-3-methoxy-4-methyl-2H-furan-5-one

CAS 1002109-42-3Formula C22H31NO6Molar mass 405.49 g/mol
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6beta-hydroxystemofoline chemical structure, C22H31NO6, CAS 1002109-42-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1002109-42-3
Formula
C22H31NO6
Molar mass
405.49 g/mol
HS code
293499
Category
Screening compounds

What is 6beta-hydroxystemofoline?

Plain description, key identifiers and synonyms

6beta-hydroxystemofoline is a chemical substance with the molecular formula C22H31NO6 and a molar mass of 405.49 g/mol. Its CAS registry number is 1002109-42-3. The IUPAC name is 2-[(1S,4S,5R,6S,8R,9R,12S,13S)-9-butyl-12-hydroxy-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-yl]-3-methoxy-4-methyl-2H-furan-5-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(1S,4S,5R,6S,8R,9R,12S,13S)-9-butyl-12-hydroxy-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-yl]-3-methoxy-4-methyl-2H-furan-5-one
CAS number
1002109-42-3
Molecular formula
C22H31NO6
InChIKey
UYJQMJHUNWUKTG-YLMSMMQMSA-N
InChI
InChI=1S/C22H31NO6/c1-5-6-7-21-14-8-12-15-10(2)17(18-16(26-4)11(3)20(25)27-18)29-22(15,28-14)19(21)13(24)9-23(12)21/h10,12-15,17-19,24H,5-9H2,1-4H3/t10-,12-,13+,14+,15+,17?,18?,19+,21-,22-/m0/s1
Canonical SMILES
CCCCC12C3CC4C5C(C)C(C6OC(=O)C(C)=C6OC)OC5(O3)C1C(O)CN42
Isomeric SMILES
CCCC[C@@]12[C@H]3C[C@@H]4N1C[C@H]([C@H]2[C@@]5([C@@H]4[C@@H](C(O5)C6C(=C(C(=O)O6)C)OC)C)O3)O

Synonyms

  • 2-((1S,4S,5R,6S,8R,9R,12S,13S)-9-butyl-12-hydroxy-4-methyl-2,14-dioxa-10-azapentacyclo(6.5.1.01,5.06,10.09,13)tetradecan-3-yl)-3-methoxy-4-methyl-2H-furan-5-one
  • 2-[(1S,4S,5R,6S,8R,9R,12S,13S)-9-butyl-12-hydroxy-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-yl]-3-methoxy-4-methyl-2H-furan-5-one

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
405.49 g/molcalc.
Exact mass
405.2151 Dacalc.
LogP (octanol/water)
1.59calc.
Topological polar surface area
77.46 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
5calc.
Heavy atoms
29calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
11calc.
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=C1C=CC(C2CC3C4CC5OC3(O2)C2CCN4C52)O1

O=C1C=CC(C2CC3C4CC5OC3(O2)C2CCN4C52)O1

6 rings, 20 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.

6beta-hydroxystemofoline suppliers

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6beta-hydroxystemofoline 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 6beta-hydroxystemofoline 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 6beta-hydroxystemofoline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 6beta-hydroxystemofoline, based on the data on this page

What is 6beta-hydroxystemofoline?

6beta-hydroxystemofoline is a chemical substance with the molecular formula C22H31NO6 and a molar mass of 405.49 g/mol. Its CAS registry number is 1002109-42-3.

What is the CAS number of 6beta-hydroxystemofoline?

The CAS registry number of 6beta-hydroxystemofoline is 1002109-42-3.

What is the molecular formula and weight of 6beta-hydroxystemofoline?

The molecular formula of 6beta-hydroxystemofoline is C22H31NO6 and its molar mass is 405.49 g/mol.

What is 6beta-hydroxystemofoline used for?

Known uses and roles of 6beta-hydroxystemofoline include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 6beta-hydroxystemofoline hazardous?

No GHS hazard classification for 6beta-hydroxystemofoline 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 6beta-hydroxystemofoline?

6beta-hydroxystemofoline 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 6beta-hydroxystemofoline?

Post a free request on CompoundList and suppliers of 6beta-hydroxystemofoline will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 6beta-hydroxystemofoline?

Suppliers quote 6beta-hydroxystemofoline 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 6beta-hydroxystemofoline

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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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