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Heterocyclic building blocks

Obelmycin E

CAS 107826-17-5Formula C40H53NO14Molar mass 771.86 g/mol
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Obelmycin E chemical structure, C40H53NO14, CAS 107826-17-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
107826-17-5
Formula
C40H53NO14
Molar mass
771.86 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Obelmycin E?

Plain description, key identifiers and synonyms

Obelmycin E is a quinone and a member of tetracenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(9R,10R)-10-[(2S,4S,5R,6R)-4-(dimethylamino)-5-[(2S,5S,6R)-5-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CAS number
107826-17-5
Molecular formula
C40H53NO14
InChIKey
DEMGNRGNMQOOAO-GFNYFZMLSA-N
InChI
InChI=1S/C40H53NO14/c1-7-40(49)15-14-20-29(35(46)33-32(34(20)45)36(47)30-23(43)8-9-24(44)31(30)37(33)48)39(40)55-28-16-21(41(5)6)38(19(4)52-28)54-27-13-11-25(18(3)51-27)53-26-12-10-22(42)17(2)50-26/h8-9,17-19,21-22,25-28,38-39,42-46,49H,7,10-16H2,1-6H3/t17-,18-,19-,21+,22+,25+,26+,27+,28+,38+,39-,40-/m1/s1
Canonical SMILES
CCC1(O)CCc2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CCC(OC4CCC(O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1c(O)ccc(O)c1C3=O
Isomeric SMILES
CC[C@]1(CCC2=C([C@H]1O[C@H]3C[C@@H]([C@H]([C@H](O3)C)O[C@H]4CC[C@@H]([C@H](O4)C)O[C@H]5CC[C@@H]([C@H](O5)C)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)O

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
771.86 g/molcalc.
Exact mass
771.3466 Dacalc.
LogP (octanol/water)
3.68calc.
Topological polar surface area
214.1 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
8calc.
Heavy atoms
55calc.
Rings
7calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.65calc.
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=C1c2ccccc2C(=O)c2cc3c(cc21)CCCC3OC1CCC(OC2CCC(OC3CCCCO3)CO2)CO1

O=C1c2ccccc2C(=O)c2cc3c(cc21)CCCC3OC1CCC(OC2CCC(OC3CCCCO3)CO2)CO1

7 rings, 41 atoms.

26 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.

Obelmycin E suppliers

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Obelmycin E 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 Obelmycin E is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Obelmycin E, based on the data on this page

What is Obelmycin E?

Obelmycin E is a quinone and a member of tetracenes.

What is the CAS number of Obelmycin E?

The CAS registry number of Obelmycin E is 107826-17-5.

What is the molecular formula and weight of Obelmycin E?

The molecular formula of Obelmycin E is C40H53NO14 and its molar mass is 771.86 g/mol.

What is Obelmycin E used for?

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

Is Obelmycin E hazardous?

No GHS hazard classification for Obelmycin E 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 Obelmycin E?

Obelmycin E is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Obelmycin E?

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

What is the price of Obelmycin E?

Suppliers quote Obelmycin E 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 Obelmycin E

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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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