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Screening compounds

LS 58500

CAS 39071-30-2Formula C27H36O8Molar mass 488.58 g/mol
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LS 58500 chemical structure, C27H36O8, CAS 39071-30-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
39071-30-2
Formula
C27H36O8
Molar mass
488.58 g/mol
HS code
291619
Category
Screening compounds

What is LS 58500?

Plain description, key identifiers and synonyms

LS 58500 is a chemical substance with the molecular formula C27H36O8 and a molar mass of 488.58 g/mol. Its CAS registry number is 39071-30-2. The IUPAC name is [(1R,2S,6R,10S,11R,12S,13S,15R)-12-(acetyloxymethyl)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2S,6R,10S,11R,12S,13S,15R)-12-(acetyloxymethyl)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
CAS number
39071-30-2
Molecular formula
C27H36O8
InChIKey
PGLQDKDOYFHAMW-GFCXBYCNSA-N
InChI
InChI=1S/C27H36O8/c1-7-14(2)23(31)35-26-10-16(4)27(33)19(21(26)24(26,6)13-34-17(5)29)9-18(12-28)11-25(32)20(27)8-15(3)22(25)30/h7-9,16,19-21,28,32-33H,10-13H2,1-6H3/b14-7+/t16-,19+,20-,21-,24-,25-,26+,27-/m1/s1
Canonical SMILES
CC=C(C)C(=O)OC12CC(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(C)COC(C)=O
Isomeric SMILES
C/C=C(\C)/C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1[C@@]2(C)COC(=O)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C

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
488.58 g/molcalc.
Exact mass
488.241 Dacalc.
LogP (octanol/water)
2.02calc.
Topological polar surface area
130.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
5calc.
Heavy atoms
35calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
8calc.
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=CC2C1CC=CC1C3CC3CCC21

O=C1C=CC2C1CC=CC1C3CC3CCC21

4 rings, 16 atoms.

136 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.

LS 58500 suppliers

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LS 58500 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 LS 58500 is traded under.

HS 2916.19Indicative HS code

Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…

World exports in 2024
$674M
−9.6% vs 2023, imports $722M
2019 to 2024
Top exporters
  1. China44.5%
  2. Germany15.3%
  3. India * partner reported11.5%
Top importers
  1. United States17.1%
  2. Netherlands7.8%
  3. South Korea7.0%

* Partner reported figures, a lower bound.

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

The HS code shown for LS 58500 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about LS 58500, based on the data on this page

What is LS 58500?

LS 58500 is a chemical substance with the molecular formula C27H36O8 and a molar mass of 488.58 g/mol. Its CAS registry number is 39071-30-2.

What is the CAS number of LS 58500?

The CAS registry number of LS 58500 is 39071-30-2.

What is the molecular formula and weight of LS 58500?

The molecular formula of LS 58500 is C27H36O8 and its molar mass is 488.58 g/mol.

What is LS 58500 used for?

Known uses and roles of LS 58500 include cooling agents in flavors and fragrances, building blocks in research and laboratory and screening compounds in research and laboratory.

Is LS 58500 hazardous?

No GHS hazard classification for LS 58500 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 LS 58500?

LS 58500 is usually classified under HS code 291619 (Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy LS 58500?

Post a free request on CompoundList and suppliers of LS 58500 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of LS 58500?

Suppliers quote LS 58500 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 LS 58500

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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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