Structure via PubChem · Public domain (PubChem)
vitamin D4
Sign in to saveAlso known as (5Z,7E)-(3S)-9,10-secoergosta-5,7,10(19)-trien-3-ol, 22,23-dihydroercalciol, (24S)-methylcalciol, 22,23-dihydroergocalciferol, (3beta,5Z,7E)-9,10-secoergosta-5,7,10(19)-trien-3-ol, (5Z,7E)-(3S)-9,10-Seco-5,7,10(19)-ergostatrien-3-ol, 22-Dihydroergocalciferol
22-Dihydroergocalciferol is a form of vitamin D, also known as vitamin D4. It has the systematic name (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-ergostatrien-3-ol.
Chemical data
- Formula
- C28H46O
- Molecular weight
- 398.7 g/mol
- IUPAC name
- (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
- SMILES
- C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
- InChIKey
- DIPPFEXMRDPFBK-JPWDPSJFSA-N
- XLogP
- 8.2
- Polar surface area
- 20.2 Ų
- H-bond donors
- 1
- H-bond acceptors
- 1
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- secosteroid
- Mass
- 398.354866
Show 4 more facts
- chemical formula
- C₂₈H₄₆O
- canonical SMILES
- CC(C)C(C)CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
- isomeric SMILES
- C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
- Commons category
- Vitamin D4
Sources (2)
via Wikidata · CC0
~1 min read
Encyclopedic overview
3 sectionsContents
- See also
- References
- External links
{{chembox | Verifiedfields = changed | verifiedrevid = 477215862 | ImageFile = 22-Dihydroergocalciferol.svg | ImageClass = skin-invert-image | ImageSize = 180px | IUPACName = (3S,5Z,7E)-9,10-Secoergosta-5,7,10(19)-trien-3-ol | SystematicName = (1S,3Z)-3-[(2E)-2-{(1R,3aS,7aR)-1-[(2R,5S)-5,6-Dimethylheptan-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexan-1-ol | OtherNames =(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-ergostatrien-3-ol(24S)-Methylcalciol22,23-DihydroercalciolVitamin D4 |Section1= |Section2= |Section3= }}
22-Dihydroergocalciferol is a form of vitamin D, also known as vitamin D4. It has the systematic name (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-ergostatrien-3-ol.
Excerpted from Wikipedia’s “vitamin D4” article, available under the CC BY-SA 4.0 licence.