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Heterocyclic compounds

Phenelfamycin E

Also known as LL-E 19020alpha, LL-E 19020 alpha, Antibiotic ll-e 19020alpha

CAS 114451-31-9Formula C65H95NO21Molar mass 1,226.46 g/mol
1 supplier listed
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Phenelfamycin E chemical structure, C65H95NO21, CAS 114451-31-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
114451-31-9
Formula
C65H95NO21
Molar mass
1,226.46 g/mol
HS code
293219
Category
Heterocyclic compounds

What is Phenelfamycin E?

Plain description, key identifiers and synonyms

Phenelfamycin E is an oligosaccharide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2E,4E,6E)-7-[(2S,3S,5R)-5-[(2R,3S,4E,6E)-8-[[(2S)-2-[(2R,3R,4R,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxyoxan-2-yl]-3-[(2R,4R,5S,6R)-5-[(2R,4R,5S,6S)-5-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid
CAS number
114451-31-9
Molecular formula
C65H95NO21
InChIKey
UDVVGDCMWCVRCO-DPXDKDKUSA-N
InChI
InChI=1S/C65H95NO21/c1-13-14-18-29-51-64(7,8)61(72)62(84-53(70)32-43-26-19-17-20-27-43)65(74,87-51)44(63(73)66-31-24-23-25-38(2)58(78-12)39(3)47-33-45(67)46(83-47)28-21-15-16-22-30-52(68)69)37-79-54-35-49(76-10)59(41(5)81-54)86-56-36-50(77-11)60(42(6)82-56)85-55-34-48(75-9)57(71)40(4)80-55/h13-30,39-42,44-51,54-62,67,71-72,74H,31-37H2,1-12H3,(H,66,73)(H,68,69)/b14-13-,16-15+,24-23+,28-21+,29-18+,30-22+,38-25+/t39-,40+,41-,42+,44-,45+,46+,47-,48+,49-,50-,51+,54-,55+,56-,57-,58-,59+,60+,61+,62-,65-/m1/s1
Canonical SMILES
CC=CC=CC1OC(O)(C(COC2CC(OC)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)O2)C(=O)NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)C(OC(=O)Cc2ccccc2)C(O)C1(C)C
Isomeric SMILES
C/C=C\C=C\[C@H]1C([C@H]([C@H]([C@](O1)([C@H](CO[C@H]2C[C@H]([C@H]([C@H](O2)C)O[C@@H]3C[C@H]([C@H]([C@@H](O3)C)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)OC)OC)OC)C(=O)NC/C=C/C=C(\C)/[C@H]([C@H](C)[C@H]5C[C@@H]([C@@H](O5)/C=C/C=C/C=C/C(=O)O)O)OC)O)OC(=O)CC6=CC=CC=C6)O)(C)C

Synonyms

  • LL-E 19020alpha
  • LL-E 19020 alpha
  • Antibiotic ll-e 19020alpha

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
1,226.46 g/molcalc.
Exact mass
1,225.6397 Dacalc.
LogP (octanol/water)
5.5calc.
Topological polar surface area
284.4 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
20calc.
Rotatable bonds
28calc.
Heavy atoms
87calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
22calc.
Lipinski rule of five
Fails (4 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=C(Cc1ccccc1)OC1CCCOC1C(COC1CCC(OC2CCC(OC3CCCCO3)CO2)CO1)C(=O)NCC=CC=CCCC1CCCO1

O=C(Cc1ccccc1)OC1CCCOC1C(COC1CCC(OC2CCC(OC3CCCCO3)CO2)CO1)C(=O)NCC=CC=CCCC1CCCO1

6 rings, 54 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.

Phenelfamycin E suppliers

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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 1 country

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Phenelfamycin E price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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

Frequently asked questions

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

What is Phenelfamycin E?

Phenelfamycin E is an oligosaccharide.

What is the CAS number of Phenelfamycin E?

The CAS registry number of Phenelfamycin E is 114451-31-9.

What is the molecular formula and weight of Phenelfamycin E?

The molecular formula of Phenelfamycin E is C65H95NO21 and its molar mass is 1,226.46 g/mol.

Is Phenelfamycin E hazardous?

No GHS hazard classification for Phenelfamycin 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 Phenelfamycin E?

Phenelfamycin E 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 Phenelfamycin E?

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

What is the price of Phenelfamycin E?

Suppliers quote Phenelfamycin 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

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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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