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(Q77387327)
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English
4a,8-Dimethyl-4,4a,5,6,7,8-hexahydro-3H-
group of stereoisomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
noreudesmane
0 references
mass
178.135765196
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₈O
0 references
canonical SMILES
O=C1C=C2C(C)CCCC2(C)CC1
0 references
isomeric SMILES
C[C@H]1CCCC2(C)CCC(=O)C=C12
0 references
Identifiers
InChI
InChI=1S/C12H18O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h8-9H,3-7H2,1-2H3/t9-,12?/m0/s1
0 references
InChIKey
KLTKQWRPJDRMTL-QHGLUPRGSA-N
2 references
stated in
PubChem
PubChem CID
130697101
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
130697101
language of work or name
English
PubChem CID
130697101
2 references
stated in
PubChem
PubChem CID
130697101
language of work or name
English
matched by identifier from
InChIKey
InChIKey
KLTKQWRPJDRMTL-QHGLUPRGSA-N
ChEBI ID
204661
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H18O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h8-9H,3-7H2,1-2H3/t9-,12?/m0/s1
UniChem compound ID
162539947
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA007803
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KLTKQWRPJDRMTL-QHGLUPRGSA-N
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