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(Q105178351)
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English
3-[2-[(1R,6aS,7R,8S,10aS)-1-hydroxy-7,8-dimethyl-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-7-yl]ethyl]-2H-furan-5-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(2-{1-hydroxy-7,8-dimethyl-1H,3H,5H,6H,6aH,8H,9H,10H-naphtho[1,8a-c]furan-7-yl}ethyl)-5H-furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
O=C1OCC(=C1)CCC2(C)C(C)CCC34C(=CCCC32)COC4O
0 references
isomeric SMILES
C[C@H]1CC[C@@]23C(=CCC[C@H]2[C@]1(C)CCC1=CC(=O)OC1)CO[C@H]3O
0 references
found in taxon
Gutierrezia texana
1 reference
stated in
Ten cis-clerodane-type diterpene lactones from Gutierrezia texana
Identifiers
InChI
InChI=1S/C20H28O4/c1-13-6-9-20-15(12-24-18(20)22)4-3-5-16(20)19(13,2)8-7-14-10-17(21)23-11-14/h4,10,13,16,18,22H,3,5-9,11-12H2,1-2H3/t13-,16-,18+,19+,20+/m0/s1
0 references
InChIKey
NFAVXFOQTAQQBH-ASEVCOPASA-N
0 references
PubChem CID
101321333
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
96541197
1 reference
stated in
UniChem
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