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Screening compounds

EB 1213

Also known as (5Z,7E)-(1S,3R)-23-oxa-23-[3-(1-hydroxy-1-methylethyl)phenyl]-24,25,26,27-tetranor-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol, (5Z,7E)-(1S,3R)-23-oxa-23-(3-(1-hydroxy-1-methylethyl)phenyl)-24,25,26,27-tetranor-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

CAS 167357-73-5Formula C31H44O4Molar mass 480.69 g/mol
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EB 1213 chemical structure, C31H44O4, CAS 167357-73-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
167357-73-5
Formula
C31H44O4
Molar mass
480.69 g/mol
HS code
290949
Category
Screening compounds

What is EB 1213?

Plain description, key identifiers and synonyms

EB 1213 is a chemical substance with the molecular formula C31H44O4 and a molar mass of 480.69 g/mol. Its CAS registry number is 167357-73-5. The IUPAC name is trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-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
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CAS number
167357-73-5
Molecular formula
C31H44O4
InChIKey
VGFVBXSHQJLSKO-FNHUCILJSA-N
InChI
InChI=1S/C31H44O4/c1-20(19-35-26-10-6-9-24(17-26)30(3,4)34)27-13-14-28-22(8-7-15-31(27,28)5)11-12-23-16-25(32)18-29(33)21(23)2/h6,9-12,17,20,25,27-29,32-34H,2,7-8,13-16,18-19H2,1,3-5H3/b22-11+,23-12-/t20-,25-,27-,28+,29+,31-/m1/s1
Canonical SMILES
C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)COc2cccc(C(C)(C)O)c2)CC(O)CC1O
Isomeric SMILES
C[C@H](COC1=CC=CC(=C1)C(C)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C

Synonyms

  • (5Z,7E)-(1S,3R)-23-oxa-23-[3-(1-hydroxy-1-methylethyl)phenyl]-24,25,26,27-tetranor-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
  • (5Z,7E)-(1S,3R)-23-oxa-23-(3-(1-hydroxy-1-methylethyl)phenyl)-24,25,26,27-tetranor-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

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
480.69 g/molcalc.
Exact mass
480.324 Dacalc.
LogP (octanol/water)
6.07calc.
Topological polar surface area
69.92 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
35calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.61calc.
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, C=C1CCCCC1=CC=C1CCCC2C(CCOc3ccccc3)CCC12

C=C1CCCCC1=CC=C1CCCC2C(CCOc3ccccc3)CCC12

4 rings, 27 atoms.

No other chemical in our database has 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.

EB 1213 suppliers

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EB 1213 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 EB 1213 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 EB 1213 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about EB 1213, based on the data on this page

What is EB 1213?

EB 1213 is a chemical substance with the molecular formula C31H44O4 and a molar mass of 480.69 g/mol. Its CAS registry number is 167357-73-5.

What is the CAS number of EB 1213?

The CAS registry number of EB 1213 is 167357-73-5.

What is the molecular formula and weight of EB 1213?

The molecular formula of EB 1213 is C31H44O4 and its molar mass is 480.69 g/mol.

What is EB 1213 used for?

Known uses and roles of EB 1213 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is EB 1213 hazardous?

No GHS hazard classification for EB 1213 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 EB 1213?

EB 1213 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 EB 1213?

Post a free request on CompoundList and suppliers of EB 1213 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of EB 1213?

Suppliers quote EB 1213 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 EB 1213

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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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