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7-dehydrocholesterol

  • Formula: C27H44O

  • Molecular weight: 384.60

  • Smiles: CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C

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7-dehydrocholesterol

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: 7-dehydrocholesterol

  • First synonym: 7-dehydrocholesterol

  • Synonyms: 7-Dehydrocholesterol,434-16-2,Provitamin D3,Dehydrocholesterol,7,8-Didehydrocholesterol,7-DHC,(-)-7-Dehydrocholesterol,Dehydrocholesterin,Cholesta-5,7-dien-3beta-ol,(3beta)-Cholesta-5,7-dien-3-ol,7-Dehydrocholesterin,delta7-Cholesterol,Cholesta-5,7-dien-3-ol,5,7-Cholestadien-3-beta-ol,delta5,7-Cholesterol,(3beta)-7-Dehydro Cholesterol,UNII-BK1IU07GKF,NSC 18159,5,7-Cholestandien-3beta-ol,7-dehydro-cholesterol,(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,Cholesta-5,7-dien-3-ol, (3b)-,BK1IU07GKF,5,7-cholestadien-3beta-ol,Cholesterol, 7-dehydro-,Cholesta-5,7-dien-3-beta-ol,CHEBI:17759,MFCD00003624,(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol,Cholesta-5,7-dien-3-ol, (3.beta.)-,Provitamin D(sub 3),Caswell No. 902E,Cholesta-5,7-dien-3-ol #,delta(sup 7)-Cholesterol,Dehydrocholesterin [German],5,7-Cholestadien-3-.beta.-ol,Cholesta-5,7-dien-3.beta.-ol,delta(sup 5,7)-Cholesterol,cholesta-5,7-dien-3 beta-ol,provitamin-D3,.DELTA.5,7-Cholestadien-3.beta.-ol,EINECS 207-100-5,EPA Pesticide Chemical Code 208700,7,8-dehydro-cholesterol,7DHC,(3-BETA)-CHOLESTA-5,7-DIEN-3-OL,5,7-Cholestandien-3-ol,EC 207-100-5,cholesta-5,7-dien-3b-ol,SCHEMBL3447,5,7-Cholestadien-3-bet-ol,CHEMBL1797131,cholesta-5,7-dien-3 beta -ol,Delta5,7-Cholestadien-3beta-ol,3beta-Hydroxy-5,7-cholestadiene,DTXSID20861933,(3b)-Cholesta-5,7-dien-3-ol,3-bet.-Hydroxy-5,7-cholestadiene,ZINC3860325,LMST01010069,s5386,7-Dehydrocholesterol (Provitamin D3),Cholesta-5,7-dien-3beta-ol (8CI),5,7-Cholestadien-3beta-ol monohydrate,CCG-268465,Cholesta-5,7-dien-3-ol, (3beta)-,AS-59257,7-Dehydrocholesterol, >=95.0% (HPLC),HY-113279,CS-0059496,C01164,Cholesta-5,7-dien-3-ol, (3-beta)- (9CI),F20429,Q139350,W-106230,Cholesta-5,7-dien-3beta-ol (7,8-Didehydrocholesterol; Provitamin D3),10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol,17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Identifiers / External links

Structure

  • Smiles: CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C

  • Isomeric smiles: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C

  • Inchi: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1

  • Inchikey: UCTLRSWJYQTBFZ-DDPQNLDTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H44O

  • Molecular weight: 384.60

  • Monoisotopic mass: 384.339216023

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