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(Q105341269)
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English
(2'R,7'R,9'R,11'R)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-ol
group of stereoisomers with the chemical formula C₁₅H₂₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
trichothecane sesquiterpenoid
1 reference
inferred from
trichothecane sesquiterpenoid
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
OC1CC2OC3C=C(C)CCC3(C)C1(C)C42OC4
0 references
isomeric SMILES
CC1=C[C@H]2O[C@@H]3C[C@@H](O)C(C)(C34CO4)[C@@]2(C)CC1
0 references
Identifiers
InChI
InChI=1S/C15H22O3/c1-9-4-5-13(2)11(6-9)18-12-7-10(16)14(13,3)15(12)8-17-15/h6,10-12,16H,4-5,7-8H2,1-3H3/t10-,11-,12-,13+,14?,15?/m1/s1
0 references
InChIKey
XSUVNTHNQMGPIL-YNBGEIFUSA-N
0 references
CAS Registry Number
2198-93-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
114680
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XSUVNTHNQMGPIL-YNBGEIFUSA-N
UniChem compound ID
66176828
1 reference
stated in
UniChem
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