7-Dehydrocholesterol

HCID 439423

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 434-16-2
標準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
分子式: C27H44O
平均分子量: 384.6 g/mol
単同位体質量: 384.33921602

名称と識別子

優先名称: 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

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性補完中

XLogP: 8
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 5
重原子数: 28
形式電荷: 0
複雑度: 643

実験および物理化学的性質

Solubility1 mg/mL

Melting Point150.5 °C

Physical DescriptionSolid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

法規制情報

Regulatory Information · 2 件

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

化学と産業

薬理情報

MeSH Pharmacological ClassificationPrecursor forms of vitamins.

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

Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Membrane

Metabolite Pathways · 1 件

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