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CHEBI:46481 - (3S,5R,6S,3'S,5'R,6'S) BETA-CAROTENE-3,23-DIOL

Default Structure
ChEBI IDCHEBI:46481
ChEBI Name(3S,5R,6S,3'S,5'R,6'S) BETA-CAROTENE-3,23-DIOL
Stars
DownloadsMolfile
FormulaC40H56O2
Net Charge0
Average Mass568.886
Monoisotopic Mass568.42803
SMILES[H]O[C@@]1([H])C([H])([H])C(C([H])([H])[H])=C(/C([H])=C([H])/C(=C([H])/C([H])=C([H])/C(=C([H])/C([H])=C([H])/C([H])=C(C(/[H])=C([H])/C([H])=C(C(/[H])=C(\[H])C2=C([H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H]
InChIInChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-25-34(6)38(42)28-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-37-33(5)26-36(41)27-40(37,9)10/h11-25,34,36,38,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,36-,38+/m0/s1
InChIKeyYRMDXLDAZBQLBK-WIHRHFSMSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,5R,6S,3'S,5'R,6'S) BETA-CAROTENE-3,23-DIOL (CHEBI:46481) is a unclassifieds (CHEBI:27189)
Synonym  Source
(3S,5R,6S,3'S,5'R,6'S) BETA-CAROTENE-3,23-DIOLPDBeChem
Manual XrefsDatabases
ZEXPDBeChem