7-Dehydrocholesterol

HCID 439423CAS 434-16-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey: UCTLRSWJYQTBFZ-DDPQNLDTSA-N
Summenformel: C27H44O
Durchschnittliche Molmasse: 384,6 g/mol
Monoisotopische Masse: 384,33921602

Namen und Bezeichner

Bevorzugter Name: 7-Dehydrocholesterol
IUPAC: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Namen und Synonyme

7-Dehydrocholesterol434-16-2Provitamin D3Cholesta-5,7-dien-3beta-ol7,8-Didehydrocholesterol(3beta)-Cholesta-5,7-dien-3-ol7-DHC5,7-Cholestadien-3-beta-olBK1IU07GKF(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-olcholesta-5,7-dien-3 beta-olDTXSID20861933

Weitere Namen anzeigen

NSC-18159CHEBI:17759Cholesta-5,7-dien-3-ol, (3beta)-provitamin D(3)(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-olRefChem:105986

Datenbank-Bezeichner

CAS: 434-16-2
PubChem CID: 439423
DTXSID: DTXSID20861933
ChEMBL: CHEMBL1797131
ChEBI: CHEBI:17759
UNII: BK1IU07GKF
EC Number: 207-100-5
Nikkaji: J60.101B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 8
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 5
Schwere Atome: 28
Formalladung: 0
Komplexität: 643

Experimentelle und physikochemische Eigenschaften

Solubility1 mg/mL

Melting Point150.5 °C

Physical DescriptionSolid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

This chemical does not meet GHS hazard criteria for 1.9% (2 of 108) of reports.

H413 (98.1%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 108 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 108 reports by companies.；There are 2 notifications provided by 106 of 108 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 18-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11283

Cholesta-5,7-dien-3-ol, (3.beta.)-: 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.

Hazard Classes and CategoriesAquatic Chronic 3 (98.1%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Status: Active Update: 18-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11283

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationPrecursor forms of vitamins.

Tissue LocationsAdrenal Gland；Brain；Epidermis；Fibroblasts；Liver；Testis

Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Membrane

Metabolite Pathways · 1 Eintrag

Alendronate Action Pathway；Atorvastatin Action Pathway；Cerivastatin Action Pathway；CHILD Syndrome；Cholesteryl ester storage disease；Chondrodysplasia Punctata II, X Linked Dominant (CDPX2)；Desmosterolosis；Fluvastatin Action Pathway；Hyper-IgD syndrome；Hypercholesterolemia；Total 23 pathways, visit the HMDB page for details