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Lipids and fatty acids

Paralinone B

Also known as ACon1_002283

CAS 188939-75-5Formula C37H46O14Molar mass 714.76 g/mol
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Paralinone B chemical structure, C37H46O14, CAS 188939-75-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
188939-75-5
Formula
C37H46O14
Molar mass
714.76 g/mol
HS code
291819
Category
Lipids and fatty acids

What is Paralinone B?

Plain description, key identifiers and synonyms

Paralinone B has been reported in Euphorbia paralias.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2R,3R,4S,5S,7R,8R,9S,10S,14R)-1,8,16-triacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate
CAS number
188939-75-5
Molecular formula
C37H46O14
InChIKey
GVQACOLUOBLBLO-QLBLGQMTSA-N
InChI
InChI=1S/C37H46O14/c1-18-14-36(45)27(28(18)50-31(44)23-12-10-9-11-13-23)30(49-26(42)17-46-19(2)38)37(51-22(5)41)15-24-25(16-34(6,7)29(24)43)35(8,32(36)47-20(3)39)33(37)48-21(4)40/h9-13,18,24-25,27-28,30,32-33,45H,14-17H2,1-8H3/t18-,24+,25-,27+,28-,30+,32+,33?,35-,36+,37-/m0/s1
Canonical SMILES
CC(=O)OCC(=O)OC1C2C(OC(=O)c3ccccc3)C(C)CC2(O)C(OC(C)=O)C2(C)C3CC(C)(C)C(=O)C3CC1(OC(C)=O)C2OC(C)=O
Isomeric SMILES
C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H]([C@]4(C[C@@H]5[C@H](CC(C5=O)(C)C)[C@@]([C@H]2OC(=O)C)(C4OC(=O)C)C)OC(=O)C)OC(=O)COC(=O)C)O

Synonyms

  • ACon1_002283

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
714.76 g/molcalc.
Exact mass
714.2888 Dacalc.
LogP (octanol/water)
2.89calc.
Topological polar surface area
195.1 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
8calc.
Heavy atoms
51calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
11calc.
Lipinski rule of five
Fails (2 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=C(OC1CCC2CC3CC(CC4C(=O)CCC34)CC21)c1ccccc1

O=C(OC1CCC2CC3CC(CC4C(=O)CCC34)CC21)c1ccccc1

5 rings, 26 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.

Paralinone B suppliers

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Paralinone B 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Paralinone B is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Paralinone B, based on the data on this page

What is Paralinone B?

Paralinone B has been reported in Euphorbia paralias.

What is the CAS number of Paralinone B?

The CAS registry number of Paralinone B is 188939-75-5.

What is the molecular formula and weight of Paralinone B?

The molecular formula of Paralinone B is C37H46O14 and its molar mass is 714.76 g/mol.

Is Paralinone B hazardous?

No GHS hazard classification for Paralinone B 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 Paralinone B?

Paralinone B is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Paralinone B?

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What is the price of Paralinone B?

Suppliers quote Paralinone B 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 Paralinone B

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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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