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Screening compounds

trans-Eldecalcitol

Also known as 5-[2-[1-(6-Hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol, 2|A-trans-eldecalcitol, (1alpha,2beta,3beta,5E,7E)-2-(3-Hydroxypropoxy)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol

CAS 861996-34-1Formula C30H50O5Molar mass 490.73 g/mol
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trans-Eldecalcitol chemical structure, C30H50O5, CAS 861996-34-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
861996-34-1
Formula
C30H50O5
Molar mass
490.73 g/mol
HS code
290949
Category
Screening compounds

What is trans-Eldecalcitol?

Plain description, key identifiers and synonyms

trans-Eldecalcitol is a chemical substance with the molecular formula C30H50O5 and a molar mass of 490.73 g/mol. Its CAS registry number is 861996-34-1. The IUPAC name is 5-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
CAS number
861996-34-1
Molecular formula
C30H50O5
InChIKey
FZEXGDDBXLBRTD-UHFFFAOYSA-N
InChI
InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3
SMILES (canonical and isomeric)
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)OCCCO)O)C

Synonyms

  • 5-[2-[1-(6-Hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
  • 2|A-trans-eldecalcitol
  • (1alpha,2beta,3beta,5E,7E)-2-(3-Hydroxypropoxy)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol

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
490.73 g/molcalc.
Exact mass
490.3658 Dacalc.
LogP (octanol/water)
5.08calc.
Topological polar surface area
90.15 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
10calc.
Heavy atoms
35calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
Formal charge
0calc.
Stereocentres
7calc.
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, 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.

trans-Eldecalcitol suppliers

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trans-Eldecalcitol price

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

Frequently asked questions

Quick answers about trans-Eldecalcitol, based on the data on this page

What is trans-Eldecalcitol?

trans-Eldecalcitol is a chemical substance with the molecular formula C30H50O5 and a molar mass of 490.73 g/mol. Its CAS registry number is 861996-34-1.

What is the CAS number of trans-Eldecalcitol?

The CAS registry number of trans-Eldecalcitol is 861996-34-1.

What is the molecular formula and weight of trans-Eldecalcitol?

The molecular formula of trans-Eldecalcitol is C30H50O5 and its molar mass is 490.73 g/mol.

What is trans-Eldecalcitol used for?

Known uses and roles of trans-Eldecalcitol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is trans-Eldecalcitol hazardous?

No GHS hazard classification for trans-Eldecalcitol 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 trans-Eldecalcitol?

trans-Eldecalcitol 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 trans-Eldecalcitol?

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

What is the price of trans-Eldecalcitol?

Suppliers quote trans-Eldecalcitol 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 trans-Eldecalcitol

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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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