Ergocalciferol
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Molecular Identity
Ergocalciferol
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
PubChem CID: 5280793
Vitamin D2 is a vitamin D supplement and has been isolated from alfalfa. It has a role as a rodenticide, a bone density conservation agent, a nutraceutical and a plant metabolite. It is a vitamin D, a seco-ergostane and a hydroxy seco-steroid.
2D Structure
Properties
C28H44O
Molecular Formula
396.60
Molecular Weight
g/mol
396.3392
Exact Mass
Da
7.4
XLogP
Above Lipinski threshold
20.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
678
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CIsomeric SMILES
SMILES: C[C@H](/C=C/[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)CSynonyms(20)
ergocalciferolVITAMIN D2Calciferol50-14-6ViosterolDeltalinErgoroneOleovitamin D2DrisdolOstelinErcalciolSterogylDetalupCondocapsCrystallina
Data from PubChem (NCBI)
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Trials and conditions connected to Ergocalciferol
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