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(Q105328241)
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English
[6-hydroxy-10,14-dimethyl-7-(prop-1-en-2-yl)-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate
group of stereoisomers with the chemical formula C₂₂H₃₄O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
cembrane
1 reference
inferred from
cembrane
mass
362.2457095679999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₄O₄
0 references
canonical SMILES
O=C(OCC1=CC(O)C(C(=C)C)CCC(=CCCC2(OC2CC1)C)C)C
0 references
Identifiers
InChI
InChI=1S/C22H34O4/c1-15(2)19-10-8-16(3)7-6-12-22(5)21(26-22)11-9-18(13-20(19)24)14-25-17(4)23/h7,13,19-21,24H,1,6,8-12,14H2,2-5H3
0 references
InChIKey
XHPIEOZMYVAMEY-UHFFFAOYSA-N
0 references
PubChem CID
3829697
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XHPIEOZMYVAMEY-UHFFFAOYSA-N
UniChem compound ID
46214375
1 reference
stated in
UniChem
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