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CHEBI:42257 - SEOCALCITOL

Default Structure
ChEBI IDCHEBI:42257
ChEBI NameSEOCALCITOL
Stars
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILES[H]OC(/C([H])=C([H])/C([H])=C(\[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])([H])[C@]([H])(O[H])C3([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13-,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1
InChIKeyLVLLALCJVJNGQQ-VXFVVCAZSA-N
ChEBI Ontology
Outgoing Relation(s)
SEOCALCITOL (CHEBI:42257) is a unclassifieds (CHEBI:27189)
Synonym  Source
SEOCALCITOLPDBeChem
Manual XrefsDatabases
EB1PDBeChem