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(Q82925795)
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English
1a,5,8-Trimethyl-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
germacrane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
11beta,13-Dihydroparthenolide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,2S,4R,7E,11S,12S)-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,2R,4R,11S,12S)-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
1 reference
based on heuristic
inferred from InChI
(1S,2S,4R,7E,11S,12R)-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=CCCC2(C)OC2C2OC(=O)C(C)C2CC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H22O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,10-13H,4,6-8H2,1-3H3/t10-,11-,12-,13-,15+/m0/s1
0 references
InChIKey
GSVWPONNFJXHJL-MJDBTJCESA-N
0 references
CAS Registry Number
2513-76-0
0 references
PubChem CID
482783
1 reference
matched by identifier from
InChIKey
InChIKey
GSVWPONNFJXHJL-MJDBTJCESA-N
DSSTox substance ID
DTXSID10947992
1 reference
matched by identifier from
InChIKey
InChIKey
GSVWPONNFJXHJL-MJDBTJCESA-N
DSSTOX compound identifier
DTXCID301376239
0 references
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