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Scopararane E
group of stereoisomers with the chemical formula C₁₈H₂₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
320.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₄O₅
0 references
canonical SMILES
O=C1C(O)=C2C(CCC(O)C2(C)C)C3(O)C1=CC(C=C)CC3O
0 references
isomeric SMILES
C=CC1C=C2C(=O)C(O)=C3C(CCC(O)C3(C)C)[C@@]2(O)[C@H](O)C1
0 references
found in taxon
Peroneutypa scoparia
1 reference
stated in
Scopararanes C-G: new oxygenated pimarane diterpenes from the marine sediment-derived fungus Eutypella scoparia FS26.
Identifiers
InChI
InChI=1S/C18H24O5/c1-4-9-7-11-15(21)16(22)14-10(18(11,23)13(20)8-9)5-6-12(19)17(14,2)3/h4,7,9-10,12-13,19-20,22-23H,1,5-6,8H2,2-3H3/t9?,10?,12?,13-,18+/m1/s1
0 references
InChIKey
HXKUYVGKSNPPHQ-HSKOCGKUSA-N
0 references
PubChem CID
139588830
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HXKUYVGKSNPPHQ-HSKOCGKUSA-N
ChEBI ID
220256
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H24O5/c1-4-9-7-11-15(21)16(22)14-10(18(11,23)13(20)8-9)5-6-12(19)17(14,2)3/h4,7,9-10,12-13,19-20,22-23H,1,5-6,8H2,2-3H3/t9?,10?,12?,13-,18+/m1/s1
UniChem compound ID
170911796
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA020450
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HXKUYVGKSNPPHQ-HSKOCGKUSA-N
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