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Heterocyclic compounds

RefChem:150717

Also known as K 41B, Antibiotic K 41, 15-O-demethyl-15-O-(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)-, (15(2S,5S,6R))-

CAS 72017-85-7Formula C54H92O20Molar mass 1,061.31 g/mol
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RefChem:150717 chemical structure, C54H92O20, CAS 72017-85-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72017-85-7
Formula
C54H92O20
Molar mass
1,061.31 g/mol
HS code
293219
Category
Heterocyclic compounds

What is RefChem:150717?

Plain description, key identifiers and synonyms

RefChem:150717 is a chemical substance with the molecular formula C54H92O20 and a molar mass of 1,061.31 g/mol. Its CAS registry number is 72017-85-7. The IUPAC name is 2-[4-ethyl-2,3-dihydroxy-6-[[2-[5-[5-[6-hydroxy-4-(5-methoxy-6-methyloxan-2-yl)oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-7-methoxy-3-(5-methoxy-6-methyloxan-2-yl)oxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-5-methoxy-5-methyloxan-2-yl]-2-hydroxyacetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[4-ethyl-2,3-dihydroxy-6-[[2-[5-[5-[6-hydroxy-4-(5-methoxy-6-methyloxan-2-yl)oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-7-methoxy-3-(5-methoxy-6-methyloxan-2-yl)oxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-5-methoxy-5-methyloxan-2-yl]-2-hydroxyacetic acid
CAS number
72017-85-7
Molecular formula
C54H92O20
InChIKey
HSSQWCAMESAISF-UHFFFAOYSA-N
InChI
InChI=1S/C54H92O20/c1-15-33-46(55)53(60,47(56)49(57)58)72-41(50(33,8)64-14)25-32-24-39(63-13)27(3)54(71-32)29(5)48(70-43-23-20-35(62-12)31(7)66-43)51(9,74-54)40-21-18-37(68-40)36-16-17-38(67-36)45-26(2)44(28(4)52(10,59)73-45)69-42-22-19-34(61-11)30(6)65-42/h26-48,55-56,59-60H,15-25H2,1-14H3,(H,57,58)
SMILES (canonical and isomeric)
CCC1C(C(OC(C1(C)OC)CC2CC(C(C3(O2)C(C(C(O3)(C)C4CCC(O4)C5CCC(O5)C6C(C(C(C(O6)(C)O)C)OC7CCC(C(O7)C)OC)C)OC8CCC(C(O8)C)OC)C)C)OC)(C(C(=O)O)O)O)O

Synonyms

  • K 41B
  • Antibiotic K 41, 15-O-demethyl-15-O-(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)-, (15(2S,5S,6R))-

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
1,061.31 g/molcalc.
Exact mass
1,060.6182 Dacalc.
LogP (octanol/water)
4.59calc.
Topological polar surface area
247.4 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
19calc.
Rotatable bonds
16calc.
Heavy atoms
74calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.98calc.
Formal charge
0calc.
Stereocentres
28calc.
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, C1CCC(CC2CCCC3(CC(OC4CCCCO4)C(C4CCC(C5CCC(C6CC(OC7CCCCO7)CCO6)O5)O4)O3)O2)OC1

C1CCC(CC2CCCC3(CC(OC4CCCCO4)C(C4CCC(C5CCC(C6CC(OC7CCCCO7)CCO6)O5)O4)O3)O2)OC1

8 rings, 47 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.

RefChem:150717 suppliers

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RefChem:150717 price

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 RefChem:150717 is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

The HS code shown for RefChem:150717 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about RefChem:150717, based on the data on this page

What is RefChem:150717?

RefChem:150717 is a chemical substance with the molecular formula C54H92O20 and a molar mass of 1,061.31 g/mol. Its CAS registry number is 72017-85-7.

What is the CAS number of RefChem:150717?

The CAS registry number of RefChem:150717 is 72017-85-7.

What is the molecular formula and weight of RefChem:150717?

The molecular formula of RefChem:150717 is C54H92O20 and its molar mass is 1,061.31 g/mol.

Is RefChem:150717 hazardous?

No GHS hazard classification for RefChem:150717 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 RefChem:150717?

RefChem:150717 is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy RefChem:150717?

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What is the price of RefChem:150717?

Suppliers quote RefChem:150717 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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