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(Q105136604)
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English
[(3S)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentyl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[5-[5-(Hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentyl] acetate
1 reference
based on heuristic
inferred from SMILES
mass
350.282095076
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(8alpha,9S,10beta)-Cleroda-3-ene-15,19-diol 15-acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₈O₃
0 references
canonical SMILES
O=C(OCCC(C)CCC1(C)C(C)CCC2(C(=CCCC21)CO)C)C
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isomeric SMILES
CC(=O)OCC[C@@H](C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(CO)=CCC[C@H]12
0 references
found in taxon
Baccharis rufidula
1 reference
stated in
Neo-clerodane type diterpenes from Baccharis trinervis
Baccharis trinervis
1 reference
stated in
Neo-clerodane type diterpenes from Baccharis trinervis
Identifiers
InChI
InChI=1S/C22H38O3/c1-16(11-14-25-18(3)24)9-12-21(4)17(2)10-13-22(5)19(15-23)7-6-8-20(21)22/h7,16-17,20,23H,6,8-15H2,1-5H3/t16-,17+,20+,21-,22-/m0/s1
0 references
InChIKey
JXJUDJCWRDJMCG-HFQQBTNDSA-N
0 references
PubChem CID
162899053
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JXJUDJCWRDJMCG-HFQQBTNDSA-N
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