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Screening compounds

Elsamicin B

Also known as 6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[g][2]benzopyrano[5,4,3-cde][2]benzopyran-10-yl 6-deoxy-3-C-methyl-D-galactopyranoside, 6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[g][2]benzopyrano[5,4,3-cde][2]benzopyran-10-yl 6-deoxy-3-C-methylhexopyranoside, Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((6-deoxy-3-C-methyl-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-

CAS 97068-31-0Formula C26H22O10Molar mass 494.45 g/mol
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Elsamicin B chemical structure, C26H22O10, CAS 97068-31-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
97068-31-0
Formula
C26H22O10
Molar mass
494.45 g/mol
HS code
293220
Category
Screening compounds

What is Elsamicin B?

Plain description, key identifiers and synonyms

Elsamicin B is a glycoside and a benzochromenone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
8-hydroxy-15-methyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]oxy-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione
CAS number
97068-31-0 CAS number cross-checked
Molecular formula
C26H22O10
InChIKey
HPVDVZANUAGIRR-CFSKDKRZSA-N
InChI
InChI=1S/C26H22O10/c1-9-7-8-13-16-14(9)23(30)36-20-15-11(19(27)18(17(16)20)24(31)34-13)5-4-6-12(15)35-25-22(29)26(3,32)21(28)10(2)33-25/h4-8,10,21-22,25,27-29,32H,1-3H3/t10-,21+,22+,25?,26+/m1/s1
Canonical SMILES
Cc1ccc2oc(=O)c3c(O)c4cccc(OC5OC(C)C(O)C(C)(O)C5O)c4c4oc(=O)c1c2c34
Isomeric SMILES
C[C@@H]1[C@@H]([C@]([C@H](C(O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)OC(=O)C5=C3O)O)(C)O)O

Synonyms

  • 6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[g][2]benzopyrano[5,4,3-cde][2]benzopyran-10-yl 6-deoxy-3-C-methyl-D-galactopyranoside
  • 6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[g][2]benzopyrano[5,4,3-cde][2]benzopyran-10-yl 6-deoxy-3-C-methylhexopyranoside
  • Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((6-deoxy-3-C-methyl-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-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
494.45 g/molcalc.
Exact mass
494.1213 Dacalc.
LogP (octanol/water)
2.25calc.
Topological polar surface area
159.8 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
2calc.
Heavy atoms
36calc.
Rings
6calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
5calc.
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=c1oc2c3c(OC4CCCCO4)cccc3cc3c(=O)oc4cccc1c4c32

O=c1oc2c3c(OC4CCCCO4)cccc3cc3c(=O)oc4cccc1c4c32

6 rings, 29 atoms.

No other chemical in our database has 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.

Elsamicin B suppliers

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

Frequently asked questions

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

What is Elsamicin B?

Elsamicin B is a glycoside and a benzochromenone.

What is the CAS number of Elsamicin B?

The CAS registry number of Elsamicin B is 97068-31-0.

What is the molecular formula and weight of Elsamicin B?

The molecular formula of Elsamicin B is C26H22O10 and its molar mass is 494.45 g/mol.

What is Elsamicin B used for?

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

Is Elsamicin B hazardous?

No GHS hazard classification for Elsamicin 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 Elsamicin B?

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

Where can I buy Elsamicin B?

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

What is the price of Elsamicin B?

Suppliers quote Elsamicin 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 Elsamicin 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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