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Heterocyclic compounds

Prorocentrolide

CAS 117120-34-0Formula C56H85NO13Molar mass 980.29 g/mol
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Prorocentrolide chemical structure, C56H85NO13, CAS 117120-34-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
117120-34-0
Formula
C56H85NO13
Molar mass
980.29 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Prorocentrolide?

Plain description, key identifiers and synonyms

Prorocentrolide is a tetrahydropyridine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(10E,12E,23E,47E)-14,18,19,22,31,33,40,41-octahydroxy-2,11,23,47,50-pentamethyl-35-methylidene-26,53,54,55-tetraoxa-6-azaheptacyclo[23.21.5.13,45.117,21.129,32.139,43.02,7]pentapentaconta-6,10,12,23,45,47-hexaen-27-one
CAS number
117120-34-0
Molecular formula
C56H85NO13
InChIKey
XZXZSKRRHGFIQS-YFHRIDBKSA-N
InChI
InChI=1S/C56H85NO13/c1-31-9-8-12-50-56(6)37(19-20-57-50)24-36-25-40-27-43(59)53(65)47(67-40)11-7-10-32(2)22-45(61)55-46(62)28-41(69-55)29-51(63)68-39(21-33(3)13-15-34(4)42(56)26-36)23-35(5)52(64)49-30-44(60)54(66)48(70-49)18-17-38(58)16-14-31/h9,14-16,23,26,33,37-49,52-55,58-62,64-66H,2,7-8,10-13,17-22,24-25,27-30H2,1,3-6H3/b16-14+,31-9+,34-15+,35-23+
Canonical SMILES
C=C1CCCC2OC(CC3=CC4C(C)=CCC(C)CC(C=C(C)C(O)C5CC(O)C(O)C(CCC(O)C=CC(C)=CCCC6=NCCC(C3)C64C)O5)OC(=O)CC3CC(O)C(O3)C(O)C1)CC(O)C2O
Isomeric SMILES
CC1C/C=C(/C2C=C3CC4C2(C(=NCC4)CC/C=C(/C=C/C(CCC5C(C(CC(O5)C(/C(=C/C(C1)OC(=O)CC6CC(C(O6)C(CC(=C)CCCC7C(C(CC(C3)O7)O)O)O)O)/C)O)O)O)O)\C)C)\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
980.29 g/molcalc.
Exact mass
979.6021 Dacalc.
LogP (octanol/water)
5.97calc.
Topological polar surface area
228.2 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
0calc.
Heavy atoms
70calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.75calc.
Formal charge
0calc.
Stereocentres
19calc.
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, C=C1CCCC2CCCC(CC3=CC4C=CCCCC(C=CCC5CCCC(CCCC=CC=CCCC6=NCCC(C3)C64)O5)OC(=O)CC3CCC(CC1)O3)O2

C=C1CCCC2CCCC(CC3=CC4C=CCCCC(C=CCC5CCCC(CCCC=CC=CCCC6=NCCC(C3)C64)O5)OC(=O)CC3CCC(CC1)O3)O2

7 rings, 57 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.

Prorocentrolide suppliers

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Prorocentrolide 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

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 Prorocentrolide is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Prorocentrolide?

Prorocentrolide is a tetrahydropyridine.

What is the CAS number of Prorocentrolide?

The CAS registry number of Prorocentrolide is 117120-34-0.

What is the molecular formula and weight of Prorocentrolide?

The molecular formula of Prorocentrolide is C56H85NO13 and its molar mass is 980.29 g/mol.

Is Prorocentrolide hazardous?

No GHS hazard classification for Prorocentrolide 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 Prorocentrolide?

Prorocentrolide is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Prorocentrolide?

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What is the price of Prorocentrolide?

Suppliers quote Prorocentrolide 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 Prorocentrolide

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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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