Cryptoxanthin

HCID 5281235CAS 472-70-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)CCC1
InChIKey
DMASLKHVQRHNES-FKKUPVFPSA-N
Molecular formula
C40H56O
Average molar mass
552.9 g/mol
Monoisotopic mass
552.43311641

Names & identifiers

Preferred name
Cryptoxanthin
IUPAC
(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
English name
B-CRYPTOXANTHIN
Molecular formula
C40H56O
Molecular weight
552.87

Names & synonyms

beta-CryptoxanthinCryptoxanthin472-70-8CryptoxanthineCryptoxantholbeta-Caroten-3-olCryptoxanthinsKryptoxanthinNeocryptoxanthinNeo-beta-cryptoxanthin3-Hydroxy-beta-carotene6ZIB13GI33
Show more names
β-CryptoxanthinE 161cCaricaxanthinβ-caroten-3-olB-CRYPTOXANTHIN
beta,beta-Caroten-3-ol, (3R)-(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-olCHEBI:10362DTXSID30912309Beta Caroten 3 olBeta Cryptoxanthin(1R)-3,5,5-trimethyl-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl)cyclohex-3-en-1-olRefChem:33778

Database identifiers

CAS
472-70-8
PubChem CID
5281235
DTXSID
DTXSID30912309
ChEBI
CHEBI:10362
UNII
6ZIB13GI33
Nikkaji
J5.952H

Properties

Computed structural properties

XLogP
12.3
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
10
Heavy atoms
41

Experimental & physicochemical properties

Melting Point172 - 173 °C
Physical DescriptionSolid

Physicochemical properties

Melting point
167 ℃ · 167℃
Boiling point
563.32 °C · 563.32°C (rough estimate)
Density
0.974 · 0.974±0.06 g/cm3 (20 ºC 760 Torr)
refractive index
1.48 · 1.4800 (estimate)
storage temp.
-20 °C · -20°C
solubility
1 mg/mL · chloroform: soluble1mg/mL

Safety & regulation

Hazard information

Regulatory Information · 2 items

Regulation (EC) No 178/2002 (amended)

.beta.,.beta.-Caroten-3-ol, (3R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Regulatory information

Regulatory Information · 2 items

Regulation (EC) No 178/2002 (amended)

.beta.,.beta.-Caroten-3-ol, (3R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

wgk
3
hs_code
29062990
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H315-H319-H335

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationPrecursor forms of vitamins.
Cellular LocationsExtracellular；Membrane
Applications · 3 items

UsesA natural caratenoid pigment that is converted to Vitamin A in the human body. It is an antioxidant and may help prevent free radical damage to cells and DNA, as well as stimulate the repair of oxidative damage to DNA. A potential chemopreventative agent against lung cancer as well as other types of cancer.

Usesβ-Cryptoxanthin has also been used to study its effect on the production of immunoglobulins in Peyer′s patch cells ex- vivo. It has also been used as a standard in high-performance liquid chromatography (HPLC analysis).(5)

General Descriptionβ-Cryptoxanthin is an oxygen-containing carotenoid and is a member of the xanthophyll family. It is one of the major sources of vitamin A and is present in fruits such as oranges, tangerines and papayas. In addition, it is also found in corn, peas and some animal products such as egg yolk and butter.

Upstream & downstream products

Suppliers50 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]

Additional notes

DefinitionChEBI: A carotenol that exhibits antioxidant activity. It has been isolated from fruits such as papaya and oranges.

Related reactions

1 records
New reaction record

Linked notes

Loading…