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Screening compounds

Frajunolide E

Also known as ((1S,2S,3S,4R,7S,8Z,12S,13S,14R,15S)-2,14,15-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo(11.4.0.03,7)heptadec-8-en-12-yl) acetate, [(1S,2S,3S,4R,7S,8Z,12S,13S,14R,15S)-2,14,15-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-12-yl] acetate

CAS 1058643-40-5Formula C28H38O11Molar mass 550.60 g/mol
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Frajunolide E chemical structure, C28H38O11, CAS 1058643-40-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1058643-40-5
Formula
C28H38O11
Molar mass
550.60 g/mol
HS code
293220
Category
Screening compounds

What is Frajunolide E?

Plain description, key identifiers and synonyms

Frajunolide E has been reported in Junceella fragilis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2S,3S,4R,7S,8Z,12S,13S,14R,15S)-2,14,15-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-12-yl] acetate
CAS number
1058643-40-5
Molecular formula
C28H38O11
InChIKey
SHBNTXRJWGWSCS-XPCYMWSLSA-N
InChI
InChI=1S/C28H38O11/c1-13-9-10-21(36-17(5)30)27(8)23(14(2)12-20(35-16(4)29)24(27)37-18(6)31)25(38-19(7)32)28(34)15(3)26(33)39-22(28)11-13/h11,15,20-25,34H,2,9-10,12H2,1,3-8H3/b13-11-/t15-,20-,21-,22-,23+,24-,25-,27+,28-/m0/s1
Canonical SMILES
C=C1CC(OC(C)=O)C(OC(C)=O)C2(C)C(OC(C)=O)CCC(C)=CC3OC(=O)C(C)C3(O)C(OC(C)=O)C12
Isomeric SMILES
C[C@H]1C(=O)O[C@@H]/2[C@@]1([C@H]([C@H]3C(=C)C[C@@H]([C@@H]([C@@]3([C@H](CC/C(=C2)/C)OC(=O)C)C)OC(=O)C)OC(=O)C)OC(=O)C)O

Synonyms

  • ((1S,2S,3S,4R,7S,8Z,12S,13S,14R,15S)-2,14,15-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo(11.4.0.03,7)heptadec-8-en-12-yl) acetate
  • [(1S,2S,3S,4R,7S,8Z,12S,13S,14R,15S)-2,14,15-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-12-yl] acetate

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
550.60 g/molcalc.
Exact mass
550.2414 Dacalc.
LogP (octanol/water)
2.33calc.
Topological polar surface area
151.7 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
4calc.
Heavy atoms
39calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
9calc.
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, C=C1CCCC2CCCC=CC3OC(=O)CC3CC12

C=C1CCCC2CCCC=CC3OC(=O)CC3CC12

3 rings, 19 atoms.

3 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.

Frajunolide E suppliers

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Frajunolide E 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 Frajunolide E is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Frajunolide E, based on the data on this page

What is Frajunolide E?

Frajunolide E has been reported in Junceella fragilis.

What is the CAS number of Frajunolide E?

The CAS registry number of Frajunolide E is 1058643-40-5.

What is the molecular formula and weight of Frajunolide E?

The molecular formula of Frajunolide E is C28H38O11 and its molar mass is 550.60 g/mol.

What is Frajunolide E used for?

Known uses and roles of Frajunolide E include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Frajunolide E hazardous?

No GHS hazard classification for Frajunolide E 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 Frajunolide E?

Frajunolide E is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Frajunolide E?

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

What is the price of Frajunolide E?

Suppliers quote Frajunolide E 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 Frajunolide E

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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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