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Screening compounds

Npc234717

Also known as Esculentic acid (Phytolacca), Olean-12-ene-28,29-dioic acid, 3,23-dihydroxy-, (3beta,4alpha,20beta)-

CAS 56283-68-2Formula C30H46O6Molar mass 502.69 g/mol
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Npc234717 chemical structure, C30H46O6, CAS 56283-68-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
56283-68-2
Formula
C30H46O6
Molar mass
502.69 g/mol
HS code
291819
Category
Screening compounds

What is Npc234717?

Plain description, key identifiers and synonyms

Esculentic acid (Phytolacca) is a triterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
CAS number
56283-68-2
Molecular formula
C30H46O6
InChIKey
CLXOLTFMHAXJST-GOYMLYASSA-N
InChI
InChI=1S/C30H46O6/c1-25(23(33)34)12-14-30(24(35)36)15-13-28(4)18(19(30)16-25)6-7-21-26(2)10-9-22(32)27(3,17-31)20(26)8-11-29(21,28)5/h6,19-22,31-32H,7-17H2,1-5H3,(H,33,34)(H,35,36)/t19-,20?,21-,22+,25-,26+,27+,28-,29-,30+/m1/s1
Canonical SMILES
CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
Isomeric SMILES
C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)O

Synonyms

  • Esculentic acid (Phytolacca)
  • Olean-12-ene-28,29-dioic acid, 3,23-dihydroxy-, (3beta,4alpha,20beta)-

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
502.69 g/molcalc.
Exact mass
502.3294 Dacalc.
LogP (octanol/water)
5.27calc.
Topological polar surface area
115.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
36calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.87calc.
Formal charge
0calc.
Stereocentres
10calc.
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, C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1

C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1

5 rings, 22 atoms.

402 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.

Npc234717 suppliers

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Npc234717 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 Npc234717 is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

The HS code shown for Npc234717 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc234717, based on the data on this page

What is Npc234717?

Esculentic acid (Phytolacca) is a triterpenoid.

What is the CAS number of Npc234717?

The CAS registry number of Npc234717 is 56283-68-2.

What is the molecular formula and weight of Npc234717?

The molecular formula of Npc234717 is C30H46O6 and its molar mass is 502.69 g/mol.

What is Npc234717 used for?

Known uses and roles of Npc234717 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Npc234717 hazardous?

No GHS hazard classification for Npc234717 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 Npc234717?

Npc234717 is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Npc234717?

Post a free request on CompoundList and suppliers of Npc234717 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Npc234717?

Suppliers quote Npc234717 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 Npc234717

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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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