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CHEBI:175403 - Isorosmanol

ChEBI IDCHEBI:175403
ChEBI NameIsorosmanol
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FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILES[H][C@@]12[C@@H](O)[C@]3([H])OC(=O)[C@@]1(CCCC2(C)C)c1c3cc(C(C)C)c(O)c1O
InChIInChI=1S/C20H26O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3/t15-,16+,17-,20-/m0/s1
InChIKeyUXVPWKDITRJELA-CLWJZODNSA-N
ChEBI Ontology
Outgoing Relation(s)
Isorosmanol (CHEBI:175403) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1R,8R,9R,10S)-3,4,9-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
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23339133ChemSpider