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Screening compounds

1beta-Maxacalcitol

Formula C26H42O4Molar mass 418.62 g/mol
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1beta-Maxacalcitol chemical structure, C26H42O4
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C26H42O4
Molar mass
418.62 g/mol
HS code
290949
Category
Screening compounds

What is 1beta-Maxacalcitol?

Plain description, key identifiers and synonyms

1beta-Maxacalcitol is a chemical substance with the molecular formula C26H42O4 and a molar mass of 418.62 g/mol. The IUPAC name is (5E)-5-[(2E)-2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5E)-5-[(2E)-2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Molecular formula
C26H42O4
InChIKey
DTXXSJZBSTYZKE-PQEHHWQQSA-N
InChI
InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9+
Canonical SMILES
C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)OCCC(C)(C)O)CC(O)CC1O
Isomeric SMILES
CC(C1CCC\2C1(CCC/C2=C\C=C\3/CC(CC(C3=C)O)O)C)OCCC(C)(C)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
418.62 g/molcalc.
Exact mass
418.3083 Dacalc.
LogP (octanol/water)
4.69calc.
Topological polar surface area
69.92 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
30calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
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, C=C1CCCCC1=CC=C1CCCC2CCCC12

C=C1CCCCC1=CC=C1CCCC2CCCC12

3 rings, 18 atoms.

569 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.

1beta-Maxacalcitol suppliers

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1beta-Maxacalcitol 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 1beta-Maxacalcitol is traded under.

HS 2909.49Indicative HS code

Ether-alcohols and their halogenated not elsewhere classified in subheading 2909.4

World exports in 2024
$1.74B
+6.8% vs 2023, imports $1.86B
2019 to 2024
Top exporters
  1. Germany20.6%
  2. China13.9%
  3. Netherlands12.2%
Top importers
  1. China8.8%
  2. Germany8.3%
  3. United States7.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 1beta-Maxacalcitol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 1beta-Maxacalcitol, based on the data on this page

What is 1beta-Maxacalcitol?

1beta-Maxacalcitol is a chemical substance with the molecular formula C26H42O4 and a molar mass of 418.62 g/mol. The IUPAC name is (5E)-5-[(2E)-2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.

What is the molecular formula and weight of 1beta-Maxacalcitol?

The molecular formula of 1beta-Maxacalcitol is C26H42O4 and its molar mass is 418.62 g/mol.

What is 1beta-Maxacalcitol used for?

Known uses and roles of 1beta-Maxacalcitol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 1beta-Maxacalcitol hazardous?

No GHS hazard classification for 1beta-Maxacalcitol 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 1beta-Maxacalcitol?

1beta-Maxacalcitol is usually classified under HS code 290949 (Ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 1beta-Maxacalcitol?

Post a free request on CompoundList and suppliers of 1beta-Maxacalcitol will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 1beta-Maxacalcitol?

Suppliers quote 1beta-Maxacalcitol 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 1beta-Maxacalcitol

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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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