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Heterocyclic compounds

Scaritoxin

Also known as Ciguatoxin, 1,2-didehydro-1,2,54-trideoxy-, (52S)-, CTX 4A, (52S)-1,2,54-Trideoxy-1,2-didehydrociguatoxin

CAS 66231-73-0Formula C60H84O16Molar mass 1,061.32 g/mol
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Scaritoxin chemical structure, C60H84O16, CAS 66231-73-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66231-73-0
Formula
C60H84O16
Molar mass
1,061.32 g/mol
HS code
293219
Category
Heterocyclic compounds

What is Scaritoxin?

Plain description, key identifiers and synonyms

Scaritoxin is a chemical substance with the molecular formula C60H84O16 and a molar mass of 1,061.32 g/mol. Its CAS registry number is 66231-73-0. The IUPAC name is (1R,3S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29E,32S,34R,36S,38R,40S,42R,43S,44S,45S,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(1E)-buta-1,3-dienyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,2'-oxolane]-19,48,59-triol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,3S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29E,32S,34R,36S,38R,40S,42R,43S,44S,45S,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(1E)-buta-1,3-dienyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,2'-oxolane]-19,48,59-triol
CAS number
66231-73-0 CAS number cross-checked
Molecular formula
C60H84O16
UNII
P251446IXQ
InChIKey
QFYRPKKCVYDHFZ-FKFYNGSCSA-N
InChI
InChI=1S/C60H84O16/c1-7-8-13-34-14-11-17-41-56(65-34)53(63)57-49(69-41)26-43-40(72-57)21-20-38-39(67-43)19-18-37-35(66-38)15-9-10-16-36-45(68-37)28-50(61)59(6)51(71-36)29-46-47(75-59)25-30(2)24-42-44(70-46)27-48-54(73-42)32(4)52(62)58-55(74-48)31(3)33(5)60(76-58)22-12-23-64-60/h7-11,13-14,18-21,30-58,61-63H,1,12,15-17,22-29H2,2-6H3/b10-9+,13-8+/t30-,31+,32+,33+,34+,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60+/m1/s1
Canonical SMILES
C=CC=CC1C=CCC2OC3CC4OC5C=CC6OC7CC(O)C8(C)OC9CC(C)CC%10OC%11C(CC%10OC9CC8OC7CC=CCC6OC5C=CC4OC3C(O)C2O1)OC1C(C)C(C)C2(CCCO2)OC1C(O)C%11C
Isomeric SMILES
C[C@@H]1C[C@H]2[C@@H](C[C@H]3[C@H](O2)[C@H]([C@@H]([C@H]4[C@H](O3)[C@H]([C@@H]([C@@]5(O4)CCCO5)C)C)O)C)O[C@H]6C[C@@H]7[C@]([C@@H](C[C@@H]8[C@@H](O7)C/C=C/C[C@@H]9[C@@H](O8)C=C[C@@H]2[C@@H](O9)C=C[C@@H]3[C@@H](O2)C[C@@H]2[C@@H](O3)[C@@H]([C@@H]3[C@@H](O2)CC=C[C@@H](O3)/C=C/C=C)O)O)(O[C@@H]6C1)C

Synonyms

  • Ciguatoxin, 1,2-didehydro-1,2,54-trideoxy-, (52S)-
  • CTX 4A
  • (52S)-1,2,54-Trideoxy-1,2-didehydrociguatoxin
  • Ciguatoxin 4A
  • TOXIN SG1
  • 52-Epi-ciguatoxin 4b

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
1,061.32 g/molcalc.
Exact mass
1,060.5759 Dacalc.
LogP (octanol/water)
5.83calc.
Topological polar surface area
180.7 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
2calc.
Heavy atoms
76calc.
Rings
13calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
Formal charge
0calc.
Stereocentres
31calc.
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, C1=CCC2OC3CC4OC5C=CC6OC7CCC8OC9CCCC%10OC%11CCC%12OC%13(CCCO%13)CCC%12OC%11CC%10OC9CC8OC7CC=CCC6OC5C=CC4OC3CC2OC1

C1=CCC2OC3CC4OC5C=CC6OC7CCC8OC9CCCC%10OC%11CCC%12OC%13(CCCO%13)CCC%12OC%11CC%10OC9CC8OC7CC=CCC6OC5C=CC4OC3CC2OC1

13 rings, 64 atoms.

6 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.

Scaritoxin suppliers

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

Frequently asked questions

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

What is Scaritoxin?

Scaritoxin is a chemical substance with the molecular formula C60H84O16 and a molar mass of 1,061.32 g/mol. Its CAS registry number is 66231-73-0.

What is the CAS number of Scaritoxin?

The CAS registry number of Scaritoxin is 66231-73-0.

What is the molecular formula and weight of Scaritoxin?

The molecular formula of Scaritoxin is C60H84O16 and its molar mass is 1,061.32 g/mol.

Is Scaritoxin hazardous?

No GHS hazard classification for Scaritoxin 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 Scaritoxin?

Scaritoxin 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 Scaritoxin?

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What is the price of Scaritoxin?

Suppliers quote Scaritoxin 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 Scaritoxin

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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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