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CHEBI:44322 - 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3

Default Structure
ChEBI IDCHEBI:44322
ChEBI Name2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3
Stars
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILES[H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])/C(=C([H])\C([H])=C3/C(=C([H])[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])C3([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
InChIInChI=1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11-,22-12-/t18-,20+,23-,24+,25-,26-,28-/m1/s1
InChIKeyPSWKLSOBPNHZSY-WGQJGQJJSA-N
ChEBI Ontology
Outgoing Relation(s)
2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3 (CHEBI:44322) is a unclassifieds (CHEBI:27189)
Synonym  Source
2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3PDBeChem
Manual XrefsDatabases
MVDPDBeChem