FComEx: Ergocalciferol (PC000773)

Record Information

Version

1.0

Creation date

2015-10-09 22:32:37 UTC

Update date

2017-01-19 02:36:35 UTC

FoodComEx ID

PC000773

FoodDB Record

FDB012811

Chemical Information

Name

Ergocalciferol

Description

Antirachitic vitamin Ergocalciferol is a form of vitamin D, also called vitamin D2. Ergocalciferol is found in many foods, some of which are chervil, salt, lard, and common octopus.

CAS Number

50-14-6

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Synonym	Source
(+)-Vitamin D2	biospider
(3b,5Z,7e,22e)-9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol	Generator
(3beta,5Z,7e,22e)-9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol	ChEBI
(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol	biospider
(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol	biospider
(3β,5Z,7e,22e)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol	Generator
(5e,7e,22e)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol	HMDB
(5Z,7e,22e)-(3S)-9,10-Seco-5,7,10(19),22-ergostatetraen-3-ol	ChEBI
(5Z,7e,22e)-(3S)-9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol	ChEBI
22-Tetraen 3beta 9,10,secoergosta-5,7,10(19)-ol	HMDB
4-Methylene-3-[2-[tetrahydro-7a-methyl-1-(1,4,5-trimethyl-2-hexenyl)-4(3ah)-indanylidene]ethylidene]-cyclohexanol	HMDB
9,10-Seco(5Z,7E,22E)-5,7,10(19),22-ergostatetraen-3-ol	biospider
9,10-Secoergosta-5,7,10(19),22-tetraen-3b-ol	HMDB
Activated ergosterol	biospider
beta-Ol	HMDB
Buco-D	HMDB
Calciferol	db_source
Calciferol (vitamin D2)	biospider
Calciferon 2	biospider
Condacaps	HMDB
Condocaps	HMDB
Condol	HMDB
Crtron	HMDB
Crystallina	HMDB
D-Arthin	HMDB
D-Tracetten	HMDB
Daral	HMDB
Davitamon D	HMDB
Davitin	HMDB
De-rat concentrate	HMDB
Decaps	HMDB
Dee-osterol	HMDB
Dee-ron	HMDB
Dee-ronal	HMDB
Dee-roual	HMDB
delta-Arthin	HMDB
delta-Tracetten	HMDB
Deltalin	HMDB
Deratol	HMDB
Detalup	HMDB
Diactol	HMDB
Divit urto	HMDB
Doral	HMDB
Drisdol	HMDB
Ercalciol	db_source
Ergocalciferol (D2)	biospider
Ergocalciferol oil	HMDB
Ergocalciferol, BAN, INN, USAN	db_source
Ergocalciferolum	ChEBI
Ergorone	biospider
Ergosterol (activated)	db_source
Ergosterol activated	HMDB
Ergosterol irradiated	HMDB
Fortodyl	HMDB
Geltabs	HMDB
Hi-deratol	HMDB
Infron	HMDB
Irradiated ergosta-5,7,22-trien-3beta-ol	HMDB
Metadee	HMDB
Mina D2	HMDB
Mulsiferol	HMDB
Mykostin	HMDB
Novovitamin-D	HMDB
Oleovitamin D	HMDB
Oleovitamin D2	db_source
Osteil	HMDB
Ostelin	HMDB
Radiostol	HMDB
Radstein	HMDB
Radsterin	HMDB
Rodine C	HMDB
Shock-ferol	HMDB
Shock-ferol sterogyl	HMDB
Sterogyl	HMDB
Synthetic vitamin D	HMDB
Uvesterol D	HMDB
Uvesterol-D	HMDB
Vio D	HMDB
Vio-D	HMDB
Viostdrol	biospider
Viosterol	db_source
Viosterol in oil	HMDB
Vitamin D2	db_source
Vitamina D2	ChEBI
Vitavel-D	HMDB

Chemical Formula

C28H44O

IUPAC name

(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

InChI Identifier

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

InChI Key

MECHNRXZTMCUDQ-RKHKHRCZSA-N

Isomeric SMILES

CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C

Average Molecular Weight

396.6484

Monoisotopic Molecular Weight

396.33921603

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as vitamin d and derivatives. Vitamin D and derivatives are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Vitamin D and derivatives

Direct Parent

Vitamin D and derivatives

Alternative Parents

Substituents