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Heterocyclic building blocks

Setamycin

Also known as Hygrolidin, 37-decarboxy-2-demethyl-37-(((2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino)carbonyl)-2-methoxy-24-methyl-

CAS 80112-34-1Formula C44H65NO13Molar mass 816.00 g/mol
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Setamycin chemical structure, C44H65NO13, CAS 80112-34-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
80112-34-1
Formula
C44H65NO13
Molar mass
816.00 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Setamycin?

Plain description, key identifiers and synonyms

Setamycin has been reported in Streptomyces lohii and Actinomycetaceae.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(3S,4Z,6Z,9S,10S,11R,12Z,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
CAS number
80112-34-1Other or deprecated CAS: 88899-56-3
Molecular formula
C44H65NO13
InChIKey
KFUFLYSBMNNJTF-MZYUNMTESA-N
InChI
InChI=1S/C44H65NO13/c1-23(2)41-28(7)35(56-37(49)18-17-36(48)45-38-31(46)15-16-32(38)47)22-44(53,58-41)30(9)40(51)29(8)42-33(54-10)14-12-13-24(3)19-26(5)39(50)27(6)20-25(4)21-34(55-11)43(52)57-42/h12-14,17-18,20-21,23,26-30,33,35,39-42,46,50-51,53H,15-16,19,22H2,1-11H3,(H,45,48)/b14-12-,18-17+,24-13-,25-20-,34-21+/t26-,27+,28-,29-,30-,33-,35+,39-,40+,41+,42?,44+/m0/s1
Canonical SMILES
COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(OC(=O)C=CC(=O)NC3=C(O)CCC3=O)C(C)C(C(C)C)O2)OC1=O
Isomeric SMILES
C[C@H]1C/C(=C\C=C/[C@@H](C(OC(=O)/C(=C\C(=C/[C@H]([C@H]1O)C)\C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)OC(=O)/C=C/C(=O)NC3=C(CCC3=O)O)O)O)OC)/C

Synonyms

  • Hygrolidin, 37-decarboxy-2-demethyl-37-(((2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino)carbonyl)-2-methoxy-24-methyl-

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
816.00 g/molcalc.
Exact mass
815.4456 Dacalc.
LogP (octanol/water)
5.05calc.
Topological polar surface area
207.4 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
11calc.
Heavy atoms
58calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
12calc.
Lipinski rule of five
Fails (3 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(C=CC(=O)OC1CCOC(CCCC2CC=CC=CCCCCC=CC=CC(=O)O2)C1)NC1=CCCC1=O

O=C(C=CC(=O)OC1CCOC(CCCC2CC=CC=CCCCCC=CC=CC(=O)O2)C1)NC1=CCCC1=O

3 rings, 40 atoms.

5 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.

Setamycin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Setamycin price

Indicative price range per kg from live supplier offers

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Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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 Setamycin 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 Setamycin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Setamycin, based on the data on this page

What is Setamycin?

Setamycin has been reported in Streptomyces lohii and Actinomycetaceae.

What is the CAS number of Setamycin?

The CAS registry number of Setamycin is 80112-34-1. Other or deprecated CAS numbers: 88899-56-3.

What is the molecular formula and weight of Setamycin?

The molecular formula of Setamycin is C44H65NO13 and its molar mass is 816.00 g/mol.

What is Setamycin used for?

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

Is Setamycin hazardous?

No GHS hazard classification for Setamycin 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 Setamycin?

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

Where can I buy Setamycin?

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

What is the price of Setamycin?

Suppliers quote Setamycin 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 Setamycin

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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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