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(Q104965234)
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English
9,14,18-Trimethyl-13-(3-methylbutanoyl)-4,12,20-trioxapentacyclo[11.6.1.02,11.05,10.015,19]icosa-2(11),5,7,9,14-pentaen-3-one
group of stereoisomers with the chemical formula C₂₅H₂₈O₅
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Statements
instance of
group of stereoisomers
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subclass of
iridoid
1 reference
inferred from
iridoid
cyclopentane sesquiterpenoid
1 reference
inferred from
cyclopentane sesquiterpenoid
mass
408.19367399599986
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₂₈O₅
0 references
canonical SMILES
O=C1OC2=CC=CC(=C2C=3OC4(OC(C13)C5C(=C4C)CCC5C)C(=O)CC(C)C)C
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Identifiers
InChI
InChI=1S/C25H28O5/c1-12(2)11-18(26)25-15(5)16-10-9-14(4)19(16)22(29-25)21-23(30-25)20-13(3)7-6-8-17(20)28-24(21)27/h6-8,12,14,19,22H,9-11H2,1-5H3
0 references
InChIKey
CMUZRXRWUUHPQJ-UHFFFAOYSA-N
0 references
PubChem CID
74146149
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CMUZRXRWUUHPQJ-UHFFFAOYSA-N
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