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Ustiloxin B

CAS 151841-41-7Formula C26H39N5O12SMolar mass 645.69 g/mol
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Ustiloxin B chemical structure, C26H39N5O12S, CAS 151841-41-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
151841-41-7
Formula
C26H39N5O12S
Molar mass
645.69 g/mol
HS code
293499
Category
Peptides

What is Ustiloxin B?

Plain description, key identifiers and synonyms

Ustiloxin B has been reported in Ustilaginoidea virens.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,4S)-2-amino-5-[[(3R,4S,7S,10S,11R)-4-(carboxymethylcarbamoyl)-3-ethyl-11,15-dihydroxy-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-13-yl]sulfinyl]-4-hydroxypentanoic acid
CAS number
151841-41-7 CAS number cross-checked
Molecular formula
C26H39N5O12S
InChIKey
BISPUFPESHDUKH-CEALTDAMSA-N
InChI
InChI=1S/C26H39N5O12S/c1-5-26(3)21(24(39)29-9-18(34)35)31-22(37)11(2)30-23(38)19(28-4)20(36)13-7-16(43-26)15(33)8-17(13)44(42)10-12(32)6-14(27)25(40)41/h7-8,11-12,14,19-21,28,32-33,36H,5-6,9-10,27H2,1-4H3,(H,29,39)(H,30,38)(H,31,37)(H,34,35)(H,40,41)/t11-,12-,14-,19-,20+,21+,26+,44?/m0/s1
Canonical SMILES
CCC1(C)Oc2cc(c(S(=O)CC(O)CC(N)C(=O)O)cc2O)C(O)C(NC)C(=O)NC(C)C(=O)NC1C(=O)NCC(=O)O
Isomeric SMILES
CC[C@@]1([C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](C2=CC(=C(C=C2S(=O)C[C@H](C[C@@H](C(=O)O)N)O)O)O1)O)NC)C)C(=O)NCC(=O)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
645.69 g/molcalc.
Exact mass
645.2316 Dacalc.
LogP (octanol/water)
-2.96calc.
Topological polar surface area
286.9 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
11calc.
Heavy atoms
44calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.58calc.
Formal charge
0calc.
Stereocentres
8calc.
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=C1CCc2cccc(c2)OCCNC(=O)CN1

O=C1CCc2cccc(c2)OCCNC(=O)CN1

2 rings, 18 atoms.

4 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.

Ustiloxin B suppliers

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Ustiloxin B price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

  • Aspergillus metabolite
  • antimitotic
  • eukaryotic metabolite
  • fungal metabolite
  • metabolite
  • microtubule-destabilising agent
  • mycotoxin
  • poison
  • toxin
  • tubulin modulator

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 Ustiloxin B is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Ustiloxin B?

Ustiloxin B has been reported in Ustilaginoidea virens.

What is the CAS number of Ustiloxin B?

The CAS registry number of Ustiloxin B is 151841-41-7.

What is the molecular formula and weight of Ustiloxin B?

The molecular formula of Ustiloxin B is C26H39N5O12S and its molar mass is 645.69 g/mol.

What is Ustiloxin B used for?

Known uses and roles of Ustiloxin B include aspergillus metabolite, antimitotic, eukaryotic metabolite, fungal metabolite, metabolite and 5 more.

Is Ustiloxin B hazardous?

No GHS hazard classification for Ustiloxin 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 Ustiloxin B?

Ustiloxin B is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ustiloxin B?

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

What is the price of Ustiloxin B?

Suppliers quote Ustiloxin 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 Ustiloxin 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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