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Heterocyclic building blocks

Bengamide B

Also known as [(3S,6S)-1-methyl-7-oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate, ((3S,6S)-1-methyl-7-oxo-6-(((E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl)amino)azepan-3-yl) tetradecanoate, (1-methyl-7-oxo-6-(((E)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl)amino)azepan-3-yl) tetradecanoate

CAS 104947-69-5Formula C32H58N2O8Molar mass 598.82 g/mol
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Bengamide B chemical structure, C32H58N2O8, CAS 104947-69-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
104947-69-5
Formula
C32H58N2O8
Molar mass
598.82 g/mol
HS code
293379
Category
Heterocyclic building blocks

What is Bengamide B?

Plain description, key identifiers and synonyms

Bengamide B is a chemical substance with the molecular formula C32H58N2O8 and a molar mass of 598.82 g/mol. Its CAS registry number is 104947-69-5. The IUPAC name is [(3S,6S)-1-methyl-7-oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3S,6S)-1-methyl-7-oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate
CAS number
104947-69-5
Molecular formula
C32H58N2O8
InChIKey
PFRKTXMXGDERHT-UCDUEDMDSA-N
InChI
InChI=1S/C32H58N2O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)42-24-19-20-25(32(40)34(4)22-24)33-31(39)30(41-5)29(38)28(37)26(35)21-18-23(2)3/h18,21,23-26,28-30,35,37-38H,6-17,19-20,22H2,1-5H3,(H,33,39)/b21-18+/t24-,25-,26+,28-,29+,30+/m0/s1
Canonical SMILES
CCCCCCCCCCCCCC(=O)OC1CCC(NC(=O)C(OC)C(O)C(O)C(O)C=CC(C)C)C(=O)N(C)C1
Isomeric SMILES
CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@H](C(=O)N(C1)C)NC(=O)[C@@H]([C@@H]([C@H]([C@@H](/C=C/C(C)C)O)O)O)OC

Synonyms

  • [(3S,6S)-1-methyl-7-oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate
  • ((3S,6S)-1-methyl-7-oxo-6-(((E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl)amino)azepan-3-yl) tetradecanoate
  • (1-methyl-7-oxo-6-(((E)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl)amino)azepan-3-yl) tetradecanoate
  • BengamideB
  • [(3S,6S)-1-methyl-7-oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methyl-non-6-enoyl]amino]azepan-3-yl] tetradecanoate
  • 6-((4S,2R,3R,5R)-3,4,5-Trihydroxy-2-methoxy-8-methylnon-6-enoylamino)(3S,6S)-1-methyl-7-oxoazaperhydroepin-3-yl tetradecanoate

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
598.82 g/molcalc.
Exact mass
598.4193 Dacalc.
LogP (octanol/water)
3.65calc.
Topological polar surface area
145.6 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
21calc.
Heavy atoms
42calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.84calc.
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, O=C1CCCCCN1

O=C1CCCCCN1

1 ring, 8 atoms, the Caprolactam ring system.

420 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.

Bengamide B suppliers

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Bengamide 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

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 Bengamide B is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Bengamide B?

Bengamide B is a chemical substance with the molecular formula C32H58N2O8 and a molar mass of 598.82 g/mol. Its CAS registry number is 104947-69-5. The IUPAC name is [(3S,6S)-1-methyl-7-oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate.

What is the CAS number of Bengamide B?

The CAS registry number of Bengamide B is 104947-69-5.

What is the molecular formula and weight of Bengamide B?

The molecular formula of Bengamide B is C32H58N2O8 and its molar mass is 598.82 g/mol.

What is Bengamide B used for?

Known uses and roles of Bengamide B include building blocks in research and laboratory.

Is Bengamide B hazardous?

No GHS hazard classification for Bengamide 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 Bengamide B?

Bengamide B is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bengamide B?

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

What is the price of Bengamide B?

Suppliers quote Bengamide 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 Bengamide 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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