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Screening compounds

Prasinoxanthin

Also known as (3S,6R,3'R,6'R)-3,6,3'-Trihydroxy-7,8-dihydro-gamma,epsilon-caroten-8-one

CAS 94705-97-2Formula C40H56O4Molar mass 600.88 g/mol
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Prasinoxanthin chemical structure, C40H56O4, CAS 94705-97-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
94705-97-2
Formula
C40H56O4
Molar mass
600.88 g/mol
HS code
291440
Category
Screening compounds

What is Prasinoxanthin?

Plain description, key identifiers and synonyms

Prasinoxanthin has been reported in Micromonas pusilla, Bathycoccus prasinos, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3E,5E,7E,9E,11E,13E,15E,17E)-1-[(1R,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
CAS number
94705-97-2
Molecular formula
C40H56O4
InChIKey
WOJYJHBMWRNRJG-DTJZQRCSSA-N
InChI
InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-23,34-36,41-42,44H,6,24-27H2,1-5,7-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t34-,35+,36-,40-/m0/s1
Canonical SMILES
C=C1CC(O)CC(C)(C)C1(O)CC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CC(O)CC1(C)C
Isomeric SMILES
CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)C[C@@]2(C(=C)C[C@H](CC2(C)C)O)O)/C)/C)(C)C)O

Synonyms

  • (3S,6R,3'R,6'R)-3,6,3'-Trihydroxy-7,8-dihydro-gamma,epsilon-caroten-8-one

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
600.88 g/molcalc.
Exact mass
600.4179 Dacalc.
LogP (octanol/water)
8.78calc.
Topological polar surface area
77.76 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
11calc.
Heavy atoms
44calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
4calc.
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, C=C1CCCCC1CC(=O)C=CC=CC=CC=CC=CC=CC=CC=CC1C=CCCC1

C=C1CCCCC1CC(=O)C=CC=CC=CC=CC=CC=CC=CC=CC1C=CCCC1

2 rings, 32 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.

Prasinoxanthin suppliers

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Prasinoxanthin 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 Prasinoxanthin is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Prasinoxanthin?

Prasinoxanthin has been reported in Micromonas pusilla, Bathycoccus prasinos, and other organisms.

What is the CAS number of Prasinoxanthin?

The CAS registry number of Prasinoxanthin is 94705-97-2.

What is the molecular formula and weight of Prasinoxanthin?

The molecular formula of Prasinoxanthin is C40H56O4 and its molar mass is 600.88 g/mol.

What is Prasinoxanthin used for?

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

Is Prasinoxanthin hazardous?

No GHS hazard classification for Prasinoxanthin 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 Prasinoxanthin?

Prasinoxanthin is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Prasinoxanthin?

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

What is the price of Prasinoxanthin?

Suppliers quote Prasinoxanthin 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 Prasinoxanthin

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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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