Record Information
public_id FDB012811
Chemical Information
name Ergocalciferol
description Antirachitic vitamin Ergocalciferol is a form of vitamin D, also called vitamin D2. (Wikipedia)
cas_number 50-14-6
Properties
created_at 2010-04-08 22:10:22
updated_at 2011-10-30 14:11:10
moldb_smiles [H][C@@]12CC[C@H]([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C
moldb_formula C28H44O
moldb_average_mass 396.6484
moldb_inchi InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
moldb_mono_mass 396.339216030
moldb_inchikey InChIKey=MECHNRXZTMCUDQ-RKHKHRCZSA-N
moldb_iupac (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
Structure Thumb
Synonyms
Synonym Source
(+)-Vitamin D2 biospider
(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol biospider
(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol biospider
9,10-Seco(5Z,7E,22E)-5,7,10(19),22-ergostatetraen-3-ol biospider
Activated ergosterol biospider
Calciferol db_source
Calciferol (vitamin D2) biospider
Calciferon 2 biospider
Ergocalciferol (D2) biospider
Ergorone biospider
Oleovitamin D2 db_source
Viostdrol biospider
Viosterol db_source
Vitamin D2 db_source
Ergocalciferol, BAN, INN, USAN db_source
Ergosterol (activated) db_source
Ercalciol db_source