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Screening compounds

Fructigenine A

Also known as Puberuline, Puberulin, (-)-Fructigenine A

CAS 144606-96-2Formula C27H29N3O3Molar mass 443.55 g/mol
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Fructigenine A chemical structure, C27H29N3O3, CAS 144606-96-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
144606-96-2
Formula
C27H29N3O3
Molar mass
443.55 g/mol
HS code
293359
Category
Screening compounds

What is Fructigenine A?

Plain description, key identifiers and synonyms

rugulosuvine has been reported in Agathosma martiana and Penicillium aurantiogriseum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,4S,7S,9R)-16-acetyl-4-benzyl-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
CAS number
144606-96-2Other or deprecated CAS: 127926-11-8
Molecular formula
C27H29N3O3
InChIKey
UHFSGFDEMVYYRX-YSDDDFLKSA-N
InChI
InChI=1S/C27H29N3O3/c1-5-26(3,4)27-16-22-23(32)28-20(15-18-11-7-6-8-12-18)24(33)30(22)25(27)29(17(2)31)21-14-10-9-13-19(21)27/h5-14,20,22,25H,1,15-16H2,2-4H3,(H,28,32)/t20-,22-,25-,27+/m0/s1
Canonical SMILES
C=CC(C)(C)C12CC3C(=O)NC(Cc4ccccc4)C(=O)N3C1N(C(C)=O)c1ccccc12
Isomeric SMILES
CC(=O)N1[C@@H]2[C@@](C[C@@H]3N2C(=O)[C@@H](NC3=O)CC4=CC=CC=C4)(C5=CC=CC=C51)C(C)(C)C=C

Synonyms

  • Puberuline
  • Puberulin
  • (-)-Fructigenine A
  • (1R,4S,7S,9R)-16-acetyl-4-benzyl-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
  • (3S,5aR,10bR,11aS)-6-acetyl-3-benzyl-10b-(2-methylbut-3-en-2-yl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione
  • (3S,5aR,10bR,11aS)-6-Acetyl-3-benzyl-1-hydroxy-10b-(2-methylbut-3-en-2-yl)-3,5a,6,10b,11,11a-hexahydro-4H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-4-one
  • 6-Acetyl-3-benzyl-1-hydroxy-10b-(2-methylbut-3-en-2-yl)-3,5a,6,10b,11,11a-hexahydro-4H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-4-one

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
443.55 g/molcalc.
Exact mass
443.2209 Dacalc.
LogP (octanol/water)
3.17calc.
Topological polar surface area
69.72 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
33calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.37calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C1NC(Cc2ccccc2)C(=O)N2C1CC1c3ccccc3NC12

O=C1NC(Cc2ccccc2)C(=O)N2C1CC1c3ccccc3NC12

5 rings, 25 atoms.

1 other chemical 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.

Fructigenine A suppliers

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Fructigenine A 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 Fructigenine A is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Fructigenine A, based on the data on this page

What is Fructigenine A?

rugulosuvine has been reported in Agathosma martiana and Penicillium aurantiogriseum.

What is the CAS number of Fructigenine A?

The CAS registry number of Fructigenine A is 144606-96-2. Other or deprecated CAS numbers: 127926-11-8.

What is the molecular formula and weight of Fructigenine A?

The molecular formula of Fructigenine A is C27H29N3O3 and its molar mass is 443.55 g/mol.

What is Fructigenine A used for?

Known uses and roles of Fructigenine A include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Fructigenine A hazardous?

No GHS hazard classification for Fructigenine A 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 Fructigenine A?

Fructigenine A is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Fructigenine A?

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

What is the price of Fructigenine A?

Suppliers quote Fructigenine A 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

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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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