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Screening compounds

Castalin

Also known as Neovescalin, intramol. 25,17-ester, (15.beta.)-, Neovescalin, intramol. 25,17-ester, (15beta)-

CAS 19086-75-0Formula C27H20O18Molar mass 632.44 g/mol
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Castalin chemical structure, C27H20O18, CAS 19086-75-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
19086-75-0
Formula
C27H20O18
Molar mass
632.44 g/mol
HS code
293220
Category
Screening compounds

What is Castalin?

Plain description, key identifiers and synonyms

castalin has been reported in Anogeissus acuminata, Terminalia phillyreifolia, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione
CAS number
19086-75-0 CAS number cross-checkedOther or deprecated CAS: 34112-28-2
Molecular formula
C27H20O18
UNII
BA7JCC4U52
InChIKey
PPUHUWSVCUJGTD-UHFFFAOYSA-N
InChI
InChI=1S/C27H20O18/c28-2-5-14(31)23-24-20(37)12-11(27(42)45-24)9(18(35)22(39)19(12)36)8-10(26(41)44-23)7(16(33)21(38)17(8)34)6-3(25(40)43-5)1-4(29)13(30)15(6)32/h1,5,14,20,23-24,28-39H,2H2
SMILES (canonical and isomeric)
C1=C2C(=C(C(=C1O)O)O)C3=C4C(=C(C(=C3O)O)O)C5=C6C(=C(C(=C5O)O)O)C(C(C(C(C(OC2=O)CO)O)OC4=O)OC6=O)O

Synonyms

  • Neovescalin, intramol. 25,17-ester, (15.beta.)-
  • Neovescalin, intramol. 25,17-ester, (15beta)-

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
632.44 g/molcalc.
Exact mass
632.065 Dacalc.
LogP (octanol/water)
-0.63calc.
Topological polar surface area
321.7 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
1calc.
Heavy atoms
45calc.
Rings
7calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.22calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (3 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=C1OCCC2OC(=O)c3c(cccc3-c3cccc4c3C(=O)OC2C4)-c2ccccc21

O=C1OCCC2OC(=O)c3c(cccc3-c3cccc4c3C(=O)OC2C4)-c2ccccc21

7 rings, 32 atoms.

1 other chemical 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.

Castalin suppliers

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Castalin 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 Castalin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Castalin?

castalin has been reported in Anogeissus acuminata, Terminalia phillyreifolia, and other organisms.

What is the CAS number of Castalin?

The CAS registry number of Castalin is 19086-75-0. Other or deprecated CAS numbers: 34112-28-2.

What is the molecular formula and weight of Castalin?

The molecular formula of Castalin is C27H20O18 and its molar mass is 632.44 g/mol.

What is Castalin used for?

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

Is Castalin hazardous?

No GHS hazard classification for Castalin 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 Castalin?

Castalin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Castalin?

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

What is the price of Castalin?

Suppliers quote Castalin 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 Castalin

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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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