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Heterocyclic compounds

Orb3181884

CAS 3011748-20-9Formula C56H63N3O17Molar mass 1,050.12 g/mol
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Orb3181884 chemical structure, C56H63N3O17, CAS 3011748-20-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3011748-20-9
Formula
C56H63N3O17
Molar mass
1,050.12 g/mol
HS code
293299
Category
Heterocyclic compounds

What is Orb3181884?

Plain description, key identifiers and synonyms

Orb3181884 is a chemical substance with the molecular formula C56H63N3O17 and a molar mass of 1,050.12 g/mol. Its CAS registry number is 3011748-20-9. The IUPAC name is [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-[methyl-[2-[methyl(prop-2-ynoxycarbonyl)amino]ethyl]carbamoyl]oxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-[methyl-[2-[methyl(prop-2-ynoxycarbonyl)amino]ethyl]carbamoyl]oxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CAS number
3011748-20-9
Molecular formula
C56H63N3O17
InChIKey
YUOKZFRQVPPLJZ-SIWBBEJASA-N
InChI
InChI=1S/C56H63N3O17/c1-10-28-70-51(67)58(8)26-27-59(9)52(68)74-44(42(35-20-14-11-15-21-35)57-48(64)36-22-16-12-17-23-36)50(66)73-38-30-56(69)47(75-49(65)37-24-18-13-19-25-37)45-54(7,39(62)29-40-55(45,31-71-40)76-34(4)61)46(63)43(72-33(3)60)41(32(38)2)53(56,5)6/h1,11-25,38-40,42-45,47,62,69H,26-31H2,2-9H3,(H,57,64)/t38-,39-,40+,42-,43+,44+,45-,47-,54+,55-,56+/m0/s1
Canonical SMILES
C#CCOC(=O)N(C)CCN(C)C(=O)OC(C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)C(NC(=O)c1ccccc1)c1ccccc1
Isomeric SMILES
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)N(C)CCN(C)C(=O)OCC#C)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

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
1,050.12 g/molcalc.
Exact mass
1,049.4157 Dacalc.
LogP (octanol/water)
4.51calc.
Topological polar surface area
260.1 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
17calc.
Rotatable bonds
15calc.
Heavy atoms
76calc.
Rings
7calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
11calc.
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=C(CC(NC(=O)c1ccccc1)c1ccccc1)OC1C=C2CC(=O)C3CCC4OCC4C3C(OC(=O)c3ccccc3)C(C2)C1

O=C(CC(NC(=O)c1ccccc1)c1ccccc1)OC1C=C2CC(=O)C3CCC4OCC4C3C(OC(=O)c3ccccc3)C(C2)C1

7 rings, 47 atoms.

87 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.

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Orb3181884 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 Orb3181884 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 Orb3181884 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3181884, based on the data on this page

What is Orb3181884?

Orb3181884 is a chemical substance with the molecular formula C56H63N3O17 and a molar mass of 1,050.12 g/mol. Its CAS registry number is 3011748-20-9.

What is the CAS number of Orb3181884?

The CAS registry number of Orb3181884 is 3011748-20-9.

What is the molecular formula and weight of Orb3181884?

The molecular formula of Orb3181884 is C56H63N3O17 and its molar mass is 1,050.12 g/mol.

Is Orb3181884 hazardous?

No GHS hazard classification for Orb3181884 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 Orb3181884?

Orb3181884 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 Orb3181884?

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What is the price of Orb3181884?

Suppliers quote Orb3181884 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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