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Screening compounds

Rubratoxin B

Also known as 1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-3-hydroxy-4-(1-hydroxyheptyl)-, 1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-, 2-hydroxy-10-(hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl)-3-(1-hydroxyheptyl)-6,14-dioxatricyclo(10.3.0.04,8)pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone

CAS 21794-01-4Formula C26H30O11Molar mass 518.52 g/molEC 244-582-6
1 supplier listed
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Rubratoxin B chemical structure, C26H30O11, CAS 21794-01-4
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Crystalizes from diethyl ether as rosettes of needles, from benzene & ethyl acetate as l…
Melting point
168 to 170 °C
Solubility
PARTIALLY SOL IN WATER, FAIRLY SOL IN ALC & ESTERS & VERY SOL IN ACETONE /RUBRATOXINS/
HS code
293220
Category
Screening compounds
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Typical packagingIllustrative packaging image, not the actual product

What is Rubratoxin B?

Plain description, key identifiers and synonyms

Rubratoxin B is a carbonyl compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3S,10S)-2-hydroxy-3-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy-[(2S)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
CAS number
21794-01-4 CAS number cross-checked
EC number
244-582-6
Molecular formula
C26H30O11
UNII
J38U4758MY
InChIKey
ZJTBTDVZNGBSNG-RETZLTROSA-N
InChI
InChI=1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3/t12-,15+,16-,20+,21-,22-/m0/s1
Canonical SMILES
CCCCCCC(O)C1C2=C(CC(C(O)C3CC=CC(=O)O3)CC3=C(C(=O)OC3=O)C1O)C(=O)OC2=O
Isomeric SMILES
CCCCCC[C@H]([C@H]1[C@H](C2=C(C[C@H](CC3=C1C(=O)OC3=O)[C@@H]([C@@H]4CC=CC(=O)O4)O)C(=O)OC2=O)O)O

Synonyms

  • 1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-3-hydroxy-4-(1-hydroxyheptyl)-
  • 1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-
  • 2-hydroxy-10-(hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl)-3-(1-hydroxyheptyl)-6,14-dioxatricyclo(10.3.0.04,8)pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
  • Rubratoxin
  • 1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-3-hydroxy-4-(1-hydroxyheptyl)-
  • 1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10- ((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11- tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-

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

Appearance
Crystalizes from diethyl ether as rosettes of needles, from benzene & ethyl acetate as long lathes, hexagonal platesexp.
Melting point
168 to 170 °Cexp.
Solubility
PARTIALLY SOL IN WATER, FAIRLY SOL IN ALC & ESTERS & VERY SOL IN ACETONE /RUBRATOXINS/exp.

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
518.52 g/molcalc.
Exact mass
518.1788 Dacalc.
LogP (octanol/water)
0.7calc.
Topological polar surface area
173.7 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
8calc.
Heavy atoms
37calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.58calc.
Formal charge
0calc.
Stereocentres
6calc.
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, O=C1C=CCC(CC2CC3=C(CCC4=C(C2)C(=O)OC4=O)C(=O)OC3=O)O1

O=C1C=CCC(CC2CC3=C(CCC4=C(C2)C(=O)OC4=O)C(=O)OC3=O)O1

4 rings, 27 atoms.

2 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.

Rubratoxin B suppliers

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Where suppliers are based

1 supplier in 1 country

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

Frequently asked questions

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

What is Rubratoxin B?

Rubratoxin B is a carbonyl compound.

What is the CAS number of Rubratoxin B?

The CAS registry number of Rubratoxin B is 21794-01-4.

What is the molecular formula and weight of Rubratoxin B?

The molecular formula of Rubratoxin B is C26H30O11 and its molar mass is 518.52 g/mol.

What is Rubratoxin B used for?

Known uses and roles of Rubratoxin B include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Rubratoxin B hazardous?

No GHS hazard classification for Rubratoxin 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 Rubratoxin B?

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

Where can I buy Rubratoxin B?

CompoundList lists 1 supplier of Rubratoxin B in Israel. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Rubratoxin B?

Suppliers quote Rubratoxin 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

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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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